(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid

C15H20N2O4 — CID 107840294

IUPAC(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid
SMILESO=C(O)[C@@H](O)CCNC(=O)N1CCCCc2ccccc21
InChIInChI=1S/C15H20N2O4/c18-13(14(19)20)8-9-16-15(21)17-10-4-3-6-11-5-1-2-7-12(11)17/h1-2,5,7,13,18H,3-4,6,8-10H2,(H,16,21)(H,19,20)/t13-/m0/s1
InChIKeyOPTQHNPLSRSMPZ-ZDUSSCGKSA-N
MW292.33 g/mol
LogP1.37
Rot. Bonds4

About (2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid

(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid (PubChem CID 107840294) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid
PubChem CID107840294
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid
SMILESO=C(O)[C@@H](O)CCNC(=O)N1CCCCc2ccccc21
InChIInChI=1S/C15H20N2O4/c18-13(14(19)20)8-9-16-15(21)17-10-4-3-6-11-5-1-2-7-12(11)17/h1-2,5,7,13,18H,3-4,6,8-10H2,(H,16,21)(H,19,20)/t13-/m0/s1
InChIKeyOPTQHNPLSRSMPZ-ZDUSSCGKSA-N
XLogP1.37
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic 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

N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185
2-hydroxy-4-[(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 107839949
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
CID 62669562
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
(2R)-3-hydroxy-2-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)propanoic acid
CID 80757153
4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2-hydroxybutanoic acid
CID 107838164
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223772
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69369112
N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223792
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid
CID 61185072
N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113213261

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid (CID 107840294) is (2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid is O=C(O)[C@@H](O)CCNC(=O)N1CCCCc2ccccc21.
What is the InChIKey of (2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid?
The InChIKey is OPTQHNPLSRSMPZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13(14(19)20)8-9-16-15(21)17-10-4-3-6-11-5-1-2-7-12(11)17/h1-2,5,7,13,18H,3-4,6,8-10H2,(H,16,21)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid?
(2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)butanoic acid is sourced from PubChem (CID 107840294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).