(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid

C33H58N4O5 — CID 11852614

IUPAC(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](C1CCCCC1)N(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C33H58N4O5/c1-22(2)21-26(33(41)42)37(5)32(40)28(24-17-11-7-12-18-24)35-30(38)27(23-15-9-6-10-16-23)34-31(39)29(36(3)4)25-19-13-8-14-20-25/h22-29H,6-21H2,1-5H3,(H,34,39)(H,35,38)(H,41,42)/t26-,27-,28-,29-/m1/s1
InChIKeyHPHLKPUXNBCAAD-CXDXLJMYSA-N
MW590.85 g/mol
LogP4.58
Rot. Bonds13

About (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid

(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid (PubChem CID 11852614) has the molecular formula C33H58N4O5 and a molecular weight of 590.85 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
PubChem CID11852614
Molecular FormulaC33H58N4O5
Molecular Weight590.85 g/mol
Exact Mass590.44
IUPAC Name(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](C(=O)O)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](C1CCCCC1)N(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C33H58N4O5/c1-22(2)21-26(33(41)42)37(5)32(40)28(24-17-11-7-12-18-24)35-30(38)27(23-15-9-6-10-16-23)34-31(39)29(36(3)4)25-19-13-8-14-20-25/h22-29H,6-21H2,1-5H3,(H,34,39)(H,35,38)(H,41,42)/t26-,27-,28-,29-/m1/s1
InChIKeyHPHLKPUXNBCAAD-CXDXLJMYSA-N
XLogP4.58
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.85
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
CID 11852301
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-4-methylpentanoic acid
CID 11853030
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]amino]-2-cyclohexylacetyl]-methylamino]-2-cyclohexylacetic acid
CID 11852020
(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide
CID 11852925
(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-[[(2R)-2-cyclohexyl-2-(morpholine-4-carbonylamino)acetyl]amino]-2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
CID 11851712
(2S)-2-cyclohexyl-2-(dimethylamino)acetic acid
CID 93297325
2-cycloheptyl-4-methylpentanoic acid
CID 82928774
(2S)-2-[cyclohexylmethyl(methyl)amino]-4-methylpentanoic acid
CID 54294030
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307
(2S)-2-cyclohexyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetic acid
CID 66890007
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid (CID 11852614) is (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid is CC(C)C[C@H](C(=O)O)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](C1CCCCC1)N(C)C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The InChIKey is HPHLKPUXNBCAAD-CXDXLJMYSA-N. The full InChI is InChI=1S/C33H58N4O5/c1-22(2)21-26(33(41)42)37(5)32(40)28(24-17-11-7-12-18-24)35-30(38)27(23-15-9-6-10-16-23)34-31(39)29(36(3)4)25-19-13-8-14-20-25/h22-29H,6-21H2,1-5H3,(H,34,39)(H,35,38)(H,41,42)/t26-,27-,28-,29-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid has a molecular weight of 590.85 g/mol, XLogP of 4.58, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid is sourced from PubChem (CID 11852614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).