trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid

C20H21NO4 — CID 10783272

IUPACtrans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid
SMILESN[C@@](CC(c1ccccc1)c1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C20H21NO4/c21-20(19(24)25,17-11-15(17)18(22)23)12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,21H2,(H,22,23)(H,24,25)/t15-,17-,20+/m0/s1
InChIKeyQSTDCUJNEBAZGO-RIFZZMRRSA-N
MW339.39 g/mol
LogP2.71
Rot. Bonds7

About trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid (PubChem CID 10783272) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid
PubChem CID10783272
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Nametrans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid
SMILESN[C@@](CC(c1ccccc1)c1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C20H21NO4/c21-20(19(24)25,17-11-15(17)18(22)23)12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,21H2,(H,22,23)(H,24,25)/t15-,17-,20+/m0/s1
InChIKeyQSTDCUJNEBAZGO-RIFZZMRRSA-N
XLogP2.71
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.71
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-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid (CID 10783272) is trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid is N[C@@](CC(c1ccccc1)c1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid?
The InChIKey is QSTDCUJNEBAZGO-RIFZZMRRSA-N. The full InChI is InChI=1S/C20H21NO4/c21-20(19(24)25,17-11-15(17)18(22)23)12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17H,11-12,21H2,(H,22,23)(H,24,25)/t15-,17-,20+/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.71, 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-[(1R)-1-amino-1-carboxy-3,3-diphenylpropyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 10783272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).