trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid

C14H17NO4 — CID 10587622

IUPACtrans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid
SMILESNC(CCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c15-14(13(18)19,11-8-10(11)12(16)17)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)/t10-,11-,14?/m0/s1
InChIKeyRKBRDSPEJMNTGE-RFMBEDMFSA-N
MW263.29 g/mol
LogP1.12
Rot. Bonds6

About trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid (PubChem CID 10587622) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid
PubChem CID10587622
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nametrans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid
SMILESNC(CCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C14H17NO4/c15-14(13(18)19,11-8-10(11)12(16)17)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)/t10-,11-,14?/m0/s1
InChIKeyRKBRDSPEJMNTGE-RFMBEDMFSA-N
XLogP1.12
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid (CID 10587622) is trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid is NC(CCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid?
The InChIKey is RKBRDSPEJMNTGE-RFMBEDMFSA-N. The full InChI is InChI=1S/C14H17NO4/c15-14(13(18)19,11-8-10(11)12(16)17)7-6-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)/t10-,11-,14?/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-(1-amino-1-carboxy-3-phenylpropyl)cyclopropane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.12, 6 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-3-phenylpropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 10587622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).