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

C13H24N2O3 — CID 64889744

IUPAC4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
SMILESCC1CCC(CNC(=O)C(N)CCC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-9-2-4-10(5-3-9)8-15-13(18)11(14)6-7-12(16)17/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyNNDOBZFYLGUWHO-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds6

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

4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid (PubChem CID 64889744) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
PubChem CID64889744
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
SMILESCC1CCC(CNC(=O)C(N)CCC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-9-2-4-10(5-3-9)8-15-13(18)11(14)6-7-12(16)17/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyNNDOBZFYLGUWHO-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-[(3-hydroxycyclopentyl)methylamino]-5-oxopentanoic acid
CID 106134041
2-amino-3-methoxy-N-[(4-methylcyclohexyl)methyl]propanamide;hydrochloride
CID 120987252
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393
4-amino-5-(cyclohex-3-en-1-ylmethylamino)-5-oxopentanoic acid
CID 64888191
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442554
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954
(2S)-2-amino-N-(cyclopropylmethyl)-3-hydroxypropanamide
CID 70262272
5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 63243932
4-amino-5-[(4-ethylcyclohexyl)amino]-5-oxopentanoic acid
CID 64888758
4-amino-5-[[3-(cyclopropylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 79400919
4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid
CID 64888968
3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid
CID 64895471

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid (CID 64889744) is 4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid is CC1CCC(CNC(=O)C(N)CCC(=O)O)CC1.
What is the InChIKey of 4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
The InChIKey is NNDOBZFYLGUWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-2-4-10(5-3-9)8-15-13(18)11(14)6-7-12(16)17/h9-11H,2-8,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid?
4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64889744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).