trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid

C17H17NO2 — CID 89498617

IUPACtrans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@]1(NCc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-16(20)17(18-12-13-7-3-1-4-8-13)11-15(17)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,19,20)/t15-,17+/m1/s1
InChIKeyBHKLKOVREMWYPB-WBVHZDCISA-N
MW267.33 g/mol
LogP2.79
Rot. Bonds5

About trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid

trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 89498617) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid
PubChem CID89498617
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Nametrans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@]1(NCc2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO2/c19-16(20)17(18-12-13-7-3-1-4-8-13)11-15(17)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,19,20)/t15-,17+/m1/s1
InChIKeyBHKLKOVREMWYPB-WBVHZDCISA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzylamino)cyclobutane-1,2-dicarboxylic acid
CID 18971293
1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid
CID 65045391
1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid
CID 84559564
1-(benzylamino)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 64752274
trans-(1S,2R)-1-[[(2S)-2-hydroxypropanoyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 176961744
4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid
CID 114509068
benzyl N-(1-carbamoyl-2-phenylcyclopropyl)carbamate
CID 143923916
1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559124
trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009512
cis-(1S,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009514
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid (CID 89498617) is trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid is O=C(O)[C@]1(NCc2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is BHKLKOVREMWYPB-WBVHZDCISA-N. The full InChI is InChI=1S/C17H17NO2/c19-16(20)17(18-12-13-7-3-1-4-8-13)11-15(17)14-9-5-2-6-10-14/h1-10,15,18H,11-12H2,(H,19,20)/t15-,17+/m1/s1.
What are the key properties of trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid?
trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 89498617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).