4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid

C13H24N2O4 — CID 65119668

IUPAC4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid
SMILESCC1CCCC(O)(CNC(=O)C(N)CCC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-9-3-2-6-13(19,7-9)8-15-12(18)10(14)4-5-11(16)17/h9-10,19H,2-8,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyTXSGWAGPLQERCM-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.24
Rot. Bonds6

About 4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid

4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid (PubChem CID 65119668) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid
PubChem CID65119668
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid
SMILESCC1CCCC(O)(CNC(=O)C(N)CCC(=O)O)C1
InChIInChI=1S/C13H24N2O4/c1-9-3-2-6-13(19,7-9)8-15-12(18)10(14)4-5-11(16)17/h9-10,19H,2-8,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyTXSGWAGPLQERCM-UHFFFAOYSA-N
XLogP0.24
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]butanamide
CID 79022986
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxypropanamide
CID 81102329
2,2-difluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]acetamide
CID 103513938
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498634
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442554
2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide
CID 107472285
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 112695770
2-acetamido-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65123618
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid (CID 65119668) is 4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid is CC1CCCC(O)(CNC(=O)C(N)CCC(=O)O)C1.
What is the InChIKey of 4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
The InChIKey is TXSGWAGPLQERCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-3-2-6-13(19,7-9)8-15-12(18)10(14)4-5-11(16)17/h9-10,19H,2-8,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid has a molecular weight of 272.35 g/mol, XLogP of 0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 65119668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).