3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid

C9H14N2O5 — CID 64895375

IUPAC3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C9H14N2O5/c10-5(3-6(12)13)8(14)11-7(9(15)16)4-1-2-4/h4-5,7H,1-3,10H2,(H,11,14)(H,12,13)(H,15,16)
InChIKeyOOBHDPGETVVCAC-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.23
Rot. Bonds6

About 3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid

3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid (PubChem CID 64895375) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid
PubChem CID64895375
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid
SMILESNC(CC(=O)O)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C9H14N2O5/c10-5(3-6(12)13)8(14)11-7(9(15)16)4-1-2-4/h4-5,7H,1-3,10H2,(H,11,14)(H,12,13)(H,15,16)
InChIKeyOOBHDPGETVVCAC-UHFFFAOYSA-N
XLogP-1.23
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-4-[[(1S)-1-carboxy-2-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 22822514
(3S)-3-amino-4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutanoic acid
CID 22791850
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
2-cyclopropyl-2-[[2,2-di(cyclobutyl)acetyl]amino]acetic acid
CID 112744946
(3S)-3-amino-4-[(1-carboxy-2-hydroxyethyl)amino]-4-oxobutanoic acid
CID 22823992
(3S)-3-amino-4-[[(2R)-1-[[cyclobutyl(cyclopentyl)methyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 54502913
(2S)-2-[(2-amino-3-carboxypropanoyl)amino]butanedioic acid
CID 87433801
(3S)-3-amino-4-[1-(dicyclopropylmethoxy)propan-2-ylamino]-4-oxobutanoic acid
CID 18605566
3-amino-4-(cyclobutylmethylamino)-4-oxobutanoic acid
CID 64895471
3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
CID 103870481
2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid
CID 62697536
3-amino-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
CID 22824551

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid (CID 64895375) is 3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid is NC(CC(=O)O)C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid?
The InChIKey is OOBHDPGETVVCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c10-5(3-6(12)13)8(14)11-7(9(15)16)4-1-2-4/h4-5,7H,1-3,10H2,(H,11,14)(H,12,13)(H,15,16).
What are the key properties of 3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid?
3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid has a molecular weight of 230.22 g/mol, XLogP of -1.23, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[carboxy(cyclopropyl)methyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 64895375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).