(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid

C15H18N2O4 — CID 63715050

IUPAC(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
SMILESNC(=O)C[C@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)O
InChIInChI=1S/C15H18N2O4/c16-12(18)9-11(13(19)20)17-14(21)15(7-4-8-15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H,17,21)(H,19,20)/t11-/m0/s1
InChIKeyCOYWMXQVKFEBNZ-NSHDSACASA-N
MW290.32 g/mol
LogP0.55
Rot. Bonds6

About (2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid

(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid (PubChem CID 63715050) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
PubChem CID63715050
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
SMILESNC(=O)C[C@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)O
InChIInChI=1S/C15H18N2O4/c16-12(18)9-11(13(19)20)17-14(21)15(7-4-8-15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H,17,21)(H,19,20)/t11-/m0/s1
InChIKeyCOYWMXQVKFEBNZ-NSHDSACASA-N
XLogP0.55
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid with MolForge

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Related Compounds

(2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
CID 107821490
(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 107822481
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836
(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid
CID 107144402
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179
(2S)-2-[[1-[(2S)-2-acetamido-6-aminohexanoyl]-4-phenylpiperidine-4-carbonyl]amino]-4-amino-4-oxobutanoic acid
CID 11562221
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
CID 80756050
(2S)-3-(4-methoxyphenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoic acid
CID 54228911
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-[(2S)-1-aminopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 120505049
(2R)-4-amino-2-[(1-aminocyclopentanecarbonyl)amino]-4-oxobutanoic acid
CID 103870336

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid (CID 63715050) is (2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid is NC(=O)C[C@H](NC(=O)C1(c2ccccc2)CCC1)C(=O)O.
What is the InChIKey of (2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid?
The InChIKey is COYWMXQVKFEBNZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O4/c16-12(18)9-11(13(19)20)17-14(21)15(7-4-8-15)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H,17,21)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid?
(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 63715050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).