(2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid

C15H26N2O4 — CID 119369009

IUPAC(2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)CNC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-10(2)14(15(20)21)17-13(19)9-16-12(18)8-11-6-4-3-5-7-11/h10-11,14H,3-9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyOCIZCSNZBVPGGX-CQSZACIVSA-N
MW298.38 g/mol
LogP1.30
Rot. Bonds7

About (2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid

(2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid (PubChem CID 119369009) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid
PubChem CID119369009
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name(2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)CNC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-10(2)14(15(20)21)17-13(19)9-16-12(18)8-11-6-4-3-5-7-11/h10-11,14H,3-9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t14-/m1/s1
InChIKeyOCIZCSNZBVPGGX-CQSZACIVSA-N
XLogP1.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

(2S)-2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-methylbutanoic acid
CID 119359472
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
(2S)-2-(3-cyclobutylpropanoylamino)-3-methylbutanoic acid
CID 119360684
2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 95282016
(2R)-2-[(2-cyclopentylsulfonylacetyl)amino]-3-methylbutanoic acid
CID 119369506
2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid
CID 119199192
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid (CID 119369009) is (2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)CNC(=O)CC1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid?
The InChIKey is OCIZCSNZBVPGGX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)14(15(20)21)17-13(19)9-16-12(18)8-11-6-4-3-5-7-11/h10-11,14H,3-9H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid?
(2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 119369009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).