3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid

C9H16N2O3 — CID 64895471

IUPAC3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)NCC1CCC1
InChIInChI=1S/C9H16N2O3/c10-7(4-8(12)13)9(14)11-5-6-2-1-3-6/h6-7H,1-5,10H2,(H,11,14)(H,12,13)
InChIKeyNZORGYLZYFOXJW-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.30
Rot. Bonds5

About 3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid

3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid (PubChem CID 64895471) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid
PubChem CID64895471
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)NCC1CCC1
InChIInChI=1S/C9H16N2O3/c10-7(4-8(12)13)9(14)11-5-6-2-1-3-6/h6-7H,1-5,10H2,(H,11,14)(H,12,13)
InChIKeyNZORGYLZYFOXJW-UHFFFAOYSA-N
XLogP-0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-4-[(1-cyclopentylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 131947489
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
3-amino-4-[2-(cyclobutanecarbonyloxy)ethylamino]-4-oxobutanoic acid
CID 75018267
(2S)-2-amino-N-(cyclopropylmethyl)-3-hydroxypropanamide
CID 70262272
(2R)-2-amino-N-(cyclobutylmethyl)-3-methylbutanamide
CID 79011849
(2S)-2-amino-N-(cyclobutylmethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119289805
(3S)-3-amino-4-[[(1S)-1-carboxy-2-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 22822514
3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
CID 64895784
3-amino-N-(cyclobutylmethyl)-2-hydroxypropanamide
CID 115180610
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
2-[[4-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclohexanecarbonyl]amino]butanedioic acid
CID 4868836
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid (CID 64895471) is 3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid is NC(CC(=O)O)C(=O)NCC1CCC1.
What is the InChIKey of 3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid?
The InChIKey is NZORGYLZYFOXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-7(4-8(12)13)9(14)11-5-6-2-1-3-6/h6-7H,1-5,10H2,(H,11,14)(H,12,13).
What are the key properties of 3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid?
3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 64895471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).