(2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid

C19H24N2O5 — CID 54486492

IUPAC(2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid
SMILESO=C/C(CCc1ccccc1)=N\C1(C(=O)NC[C@H](O)C(=O)O)CCCC1
InChIInChI=1S/C19H24N2O5/c22-13-15(9-8-14-6-2-1-3-7-14)21-19(10-4-5-11-19)18(26)20-12-16(23)17(24)25/h1-3,6-7,13,16,23H,4-5,8-12H2,(H,20,26)(H,24,25)/b21-15-/t16-/m0/s1
InChIKeyXSRFGBXYEWLVNQ-NOEYKIMYSA-N
MW360.41 g/mol
LogP1.13
Rot. Bonds9

About (2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid

(2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid (PubChem CID 54486492) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid
PubChem CID54486492
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name(2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid
SMILESO=C/C(CCc1ccccc1)=N\C1(C(=O)NC[C@H](O)C(=O)O)CCCC1
InChIInChI=1S/C19H24N2O5/c22-13-15(9-8-14-6-2-1-3-7-14)21-19(10-4-5-11-19)18(26)20-12-16(23)17(24)25/h1-3,6-7,13,16,23H,4-5,8-12H2,(H,20,26)(H,24,25)/b21-15-/t16-/m0/s1
InChIKeyXSRFGBXYEWLVNQ-NOEYKIMYSA-N
XLogP1.13
TPSA116.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[[1-[[(2S)-2-carboxy-2-hydroxyethyl]carbamoyl]cyclopentyl]amino]-4-phenylbutanoic acid
CID 16718660
(2S)-2-hydroxy-3-(4-phenylbutanoylamino)propanoic acid
CID 114006473
(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835729
(2S)-3-[(2-amino-4-phenylbutanoyl)amino]-2-hydroxypropanoic acid
CID 107835779
1-amino-N-(2-hydroxy-2-phenylethyl)cyclohexane-1-carboxamide
CID 43500059
(2S)-2-hydroxy-3-[(1-methylcyclohexanecarbonyl)amino]propanoic acid
CID 107833610
2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
CID 66166586
benzene;formic acid;N-hydroxy-3-phenylpropanamide
CID 174900807
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
(1-hydroxycyclobutyl) 3-phenylpropanoate
CID 175188270
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanoic acid
CID 66165783

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid (CID 54486492) is (2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid is O=C/C(CCc1ccccc1)=N\C1(C(=O)NC[C@H](O)C(=O)O)CCCC1.
What is the InChIKey of (2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid?
The InChIKey is XSRFGBXYEWLVNQ-NOEYKIMYSA-N. The full InChI is InChI=1S/C19H24N2O5/c22-13-15(9-8-14-6-2-1-3-7-14)21-19(10-4-5-11-19)18(26)20-12-16(23)17(24)25/h1-3,6-7,13,16,23H,4-5,8-12H2,(H,20,26)(H,24,25)/b21-15-/t16-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid?
(2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid has a molecular weight of 360.41 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[1-[(1-oxo-4-phenylbutan-2-ylidene)amino]cyclopentanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 54486492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).