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

C24H43N3O4 — CID 11852301

IUPAC(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
SMILESCN[C@@H](C(=O)N[C@@H](C(=O)N(C)[C@H](CC(C)C)C(=O)O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H43N3O4/c1-16(2)15-19(24(30)31)27(4)23(29)21(18-13-9-6-10-14-18)26-22(28)20(25-3)17-11-7-5-8-12-17/h16-21,25H,5-15H2,1-4H3,(H,26,28)(H,30,31)/t19-,20-,21-/m1/s1
InChIKeyGVYOUFWQVMCHTN-NJDAHSKKSA-N
MW437.63 g/mol
LogP3.18
Rot. Bonds10

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

(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid (PubChem CID 11852301) has the molecular formula C24H43N3O4 and a molecular weight of 437.63 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
PubChem CID11852301
Molecular FormulaC24H43N3O4
Molecular Weight437.63 g/mol
Exact Mass437.33
IUPAC Name(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
SMILESCN[C@@H](C(=O)N[C@@H](C(=O)N(C)[C@H](CC(C)C)C(=O)O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H43N3O4/c1-16(2)15-19(24(30)31)27(4)23(29)21(18-13-9-6-10-14-18)26-22(28)20(25-3)17-11-7-5-8-12-17/h16-21,25H,5-15H2,1-4H3,(H,26,28)(H,30,31)/t19-,20-,21-/m1/s1
InChIKeyGVYOUFWQVMCHTN-NJDAHSKKSA-N
XLogP3.18
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)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-[[(2R)-2-cyclohexyl-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid
CID 11852614
(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-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
(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
2-cycloheptyl-4-methylpentanoic acid
CID 82928774
(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
(2S)-2-[cyclohexylmethyl(methyl)amino]-4-methylpentanoic acid
CID 54294030
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307
2-[[(2S)-2-cyclopentyl-2-(methylamino)acetyl]amino]-N-(1-fluoro-4,5-dioxohexan-3-yl)-4-methylpentanamide
CID 71029306
(2S)-2-cyclohexyl-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetic acid
CID 66890007
(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)but-3-enoyl]amino]acetic acid
CID 143306447
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-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid (CID 11852301) is (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid is CN[C@@H](C(=O)N[C@@H](C(=O)N(C)[C@H](CC(C)C)C(=O)O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
The InChIKey is GVYOUFWQVMCHTN-NJDAHSKKSA-N. The full InChI is InChI=1S/C24H43N3O4/c1-16(2)15-19(24(30)31)27(4)23(29)21(18-13-9-6-10-14-18)26-22(28)20(25-3)17-11-7-5-8-12-17/h16-21,25H,5-15H2,1-4H3,(H,26,28)(H,30,31)/t19-,20-,21-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid?
(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid has a molecular weight of 437.63 g/mol, XLogP of 3.18, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-(methylamino)acetyl]amino]acetyl]-methylamino]-4-methylpentanoic acid is sourced from PubChem (CID 11852301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).