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

C9H16N2O3 — CID 64895995

IUPAC4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(C(=O)C(N)CCC(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-11(6-2-3-6)9(14)7(10)4-5-8(12)13/h6-7H,2-5,10H2,1H3,(H,12,13)
InChIKeyLHOYPBMDKZVJEX-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.20
Rot. Bonds5

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

4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid (PubChem CID 64895995) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
PubChem CID64895995
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(C(=O)C(N)CCC(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-11(6-2-3-6)9(14)7(10)4-5-8(12)13/h6-7H,2-5,10H2,1H3,(H,12,13)
InChIKeyLHOYPBMDKZVJEX-UHFFFAOYSA-N
XLogP-0.20
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-[cyclohexyl(methyl)amino]-5-oxopentanoic acid
CID 64894822
4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid
CID 64889930
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
3-amino-4-[cyclopentyl(methyl)amino]-4-oxobutanoic acid
CID 64894882
(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134
2-amino-4-methoxy-N-methyl-N-(4-methylcyclohexyl)butanamide
CID 55091669
(2S)-2-amino-N-cyclobutyl-3-hydroxy-N-methylpropanamide
CID 70338344
(2S)-2-amino-N-cyclopentyl-N-methyl-4-methylsulfanylbutanamide
CID 61154669
2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60779990
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 94166116
4-amino-5-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-oxopentanoic acid
CID 64890090
4-amino-5-[cyclopentyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 64890682

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid (CID 64895995) is 4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid is CN(C(=O)C(N)CCC(=O)O)C1CC1.
What is the InChIKey of 4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid?
The InChIKey is LHOYPBMDKZVJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-11(6-2-3-6)9(14)7(10)4-5-8(12)13/h6-7H,2-5,10H2,1H3,(H,12,13).
What are the key properties of 4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid?
4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[cyclopropyl(methyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64895995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).