4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid

C12H22N2O3 — CID 64894822

IUPAC4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(C(=O)C(N)CCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-14(9-5-3-2-4-6-9)12(17)10(13)7-8-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)
InChIKeyMWHQRQHNUCBLPC-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.97
Rot. Bonds5

About 4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid

4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid (PubChem CID 64894822) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
PubChem CID64894822
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(C(=O)C(N)CCC(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-14(9-5-3-2-4-6-9)12(17)10(13)7-8-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16)
InChIKeyMWHQRQHNUCBLPC-UHFFFAOYSA-N
XLogP0.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
CID 64895995
4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid
CID 64889930
3-amino-4-[cyclopentyl(methyl)amino]-4-oxobutanoic acid
CID 64894882
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134
4-amino-5-[cyclohexyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 64890671
(2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride
CID 119275217
(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide
CID 61154669
4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 64890682
(2S)-2-amino-N-cyclobutyl-3-hydroxy-N-methylpropanamide
CID 70338344
2-amino-N-cycloheptyl-3-methoxy-N-methylpropanamide
CID 81083505
2-amino-N-cyclopentyl-5-methoxy-N-methylpentanamide
CID 81081449

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid (CID 64894822) is 4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid is CN(C(=O)C(N)CCC(=O)O)C1CCCCC1.
What is the InChIKey of 4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid?
The InChIKey is MWHQRQHNUCBLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(9-5-3-2-4-6-9)12(17)10(13)7-8-11(15)16/h9-10H,2-8,13H2,1H3,(H,15,16).
What are the key properties of 4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid?
4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64894822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).