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

C15H26N2O4 — CID 119199192

IUPAC2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)CNC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-15(2,14(20)21)17-13(19)10-16-12(18)9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyPAJHRQUNYGLETF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.44
Rot. Bonds7

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

2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid (PubChem CID 119199192) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid
PubChem CID119199192
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)CNC(=O)CC1CCCCC1)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-3-15(2,14(20)21)17-13(19)10-16-12(18)9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyPAJHRQUNYGLETF-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid
CID 119199520
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
(2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 119369009
2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 115681303
2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
CID 119198955
2-cyclobutyl-N-(3,3-dimethyl-2-oxobutyl)acetamide
CID 103867639
2-cyclohexyl-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 119645034
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid (CID 119199192) is 2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)CNC(=O)CC1CCCCC1)C(=O)O.
What is the InChIKey of 2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid?
The InChIKey is PAJHRQUNYGLETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-15(2,14(20)21)17-13(19)10-16-12(18)9-11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid?
2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 119199192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).