(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid

C17H30N2O4 — CID 119363720

IUPAC(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CC(C)NC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C17H30N2O4/c1-11(2)9-14(17(22)23)19-15(20)10-12(3)18-16(21)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)/t12?,14-/m1/s1
InChIKeyQCXVOWPZNLHWKJ-TYZXPVIJSA-N
MW326.44 g/mol
LogP2.08
Rot. Bonds8

About (2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid

(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid (PubChem CID 119363720) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is (2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid
PubChem CID119363720
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CC(C)NC(=O)C1CCCCC1)C(=O)O
InChIInChI=1S/C17H30N2O4/c1-11(2)9-14(17(22)23)19-15(20)10-12(3)18-16(21)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)/t12?,14-/m1/s1
InChIKeyQCXVOWPZNLHWKJ-TYZXPVIJSA-N
XLogP2.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
2-[3-(cyclopentanecarbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43170171
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2S)-2-[(3-fluorocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 122126117
(2S)-2-[[4-[(2-cyclohexylacetyl)amino]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 119360995
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119589615
(2S)-2-[[(3S)-3-(cyclopentanecarbonylamino)butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 97233904
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
CID 119367850

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid (CID 119363720) is (2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)CC(C)NC(=O)C1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid?
The InChIKey is QCXVOWPZNLHWKJ-TYZXPVIJSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-11(2)9-14(17(22)23)19-15(20)10-12(3)18-16(21)13-7-5-4-6-8-13/h11-14H,4-10H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)/t12?,14-/m1/s1.
What are the key properties of (2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid?
(2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid has a molecular weight of 326.44 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(cyclohexanecarbonylamino)butanoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 119363720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).