trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid

C15H19NO4 — CID 10826383

IUPACtrans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid
SMILESNC(CCCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C15H19NO4/c16-15(14(19)20,12-9-11(12)13(17)18)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,17,18)(H,19,20)/t11-,12-,15?/m0/s1
InChIKeyXAWBHQAHNLHFPV-GYZKLXCISA-N
MW277.32 g/mol
LogP1.51
Rot. Bonds7

About trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid (PubChem CID 10826383) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid
PubChem CID10826383
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nametrans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid
SMILESNC(CCCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C15H19NO4/c16-15(14(19)20,12-9-11(12)13(17)18)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,17,18)(H,19,20)/t11-,12-,15?/m0/s1
InChIKeyXAWBHQAHNLHFPV-GYZKLXCISA-N
XLogP1.51
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic 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

1-Amino-4-phenylcyclohexane-1-carboxylic acid
CID 22145292
Pccg-4
CID 5311344
(2S,4S)-2-amino-4-(4,4-diphenylbutyl)pentanedioic acid
CID 6324634
2-Amino-4-(2,2-diphenyl-ethyl)-pentanedioic acid
CID 10359073
(1S,2S)-2-((R)-1-Amino-1-carboxy-3-m-tolyl-propyl)-cyclopropanecarboxylic acid
CID 10492773
(1S,2S)-2-((S)-1-Amino-1-carboxy-3,3-diphenyl-propyl)-cyclopropanecarboxylic acid
CID 10688450
trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid
CID 10587622
2-Amino-4-(2-methyl-3-phenyl-allyl)-pentanedioic acid
CID 10588564
trans-(1S,2S)-2-(1-amino-1-carboxy-5-phenylpentyl)cyclopropane-1-carboxylic acid
CID 10732318
trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid
CID 10783272
3-[3-amino-3-carboxy-3-[(1S,2S)-2-carboxycyclopropyl]propyl]benzoic acid
CID 10828532
trans-(1S,2S)-2-(1-amino-1-carboxy-3-naphthalen-1-ylpropyl)cyclopropane-1-carboxylic acid
CID 10852666

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid (CID 10826383) is trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid is NC(CCCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid?
The InChIKey is XAWBHQAHNLHFPV-GYZKLXCISA-N. The full InChI is InChI=1S/C15H19NO4/c16-15(14(19)20,12-9-11(12)13(17)18)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,16H2,(H,17,18)(H,19,20)/t11-,12-,15?/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1-amino-1-carboxy-4-phenylbutyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 10826383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).