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

C15H19NO4 — CID 107822481

IUPAC(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
SMILESO=C(O)[C@H](CCO)NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H19NO4/c17-10-7-12(13(18)19)16-14(20)15(8-4-9-15)11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKeyBOECFKZAXZTYDE-LBPRGKRZSA-N
MW277.32 g/mol
LogP1.06
Rot. Bonds6

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

(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid (PubChem CID 107822481) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
PubChem CID107822481
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
SMILESO=C(O)[C@H](CCO)NC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C15H19NO4/c17-10-7-12(13(18)19)16-14(20)15(8-4-9-15)11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKeyBOECFKZAXZTYDE-LBPRGKRZSA-N
XLogP1.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179
2-[(1-phenylcyclobutanecarbonyl)amino]pentanoic acid
CID 43630836
(2S)-2-[(1-phenylcyclobutanecarbonyl)amino]hexanoic acid
CID 107144402
(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 63715050
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107824796
2-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 43355416
(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
CID 80756050
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]cyclopentane-1-carboxamide
CID 1220424
2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid
CID 138031119
(2S)-3-(4-methoxyphenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoic acid
CID 54228911
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
(2S)-2-[(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 54432657

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid (CID 107822481) is (2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid is O=C(O)[C@H](CCO)NC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of (2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid?
The InChIKey is BOECFKZAXZTYDE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO4/c17-10-7-12(13(18)19)16-14(20)15(8-4-9-15)11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,16,20)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 107822481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).