2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid

C12H15NO2 — CID 102492755

IUPAC2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid
SMILESO=C(O)C[C@H]1C[C@@H]1NCc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(15)7-10-6-11(10)13-8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyWMNAIZHRDRAIKP-MNOVXSKESA-N
MW205.26 g/mol
LogP1.64
Rot. Bonds5

About 2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid

2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid (PubChem CID 102492755) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid
PubChem CID102492755
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid
SMILESO=C(O)C[C@H]1C[C@@H]1NCc1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(15)7-10-6-11(10)13-8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyWMNAIZHRDRAIKP-MNOVXSKESA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S,4S)-4-(benzylamino)-1,1-dioxothiolan-3-yl]propanamide
CID 133269437
cis-(1S,2R)-2-(benzylamino)cyclohexane-1-carboxylic acid;hydrochloride
CID 131856617
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
CID 163753125
trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine
CID 174043100
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
(3R,4R)-N-benzyl-1,1-dioxo-4-phenylthiolan-3-amine
CID 7138771
(1R,2R,3R,4R,6R)-4-(benzylamino)-6-methylcyclohexane-1,2,3-triol
CID 101200286
(3S,4R)-4-(benzylamino)-2-tert-butyl-3-fluoropiperidine-1-carboxylic acid
CID 68515222
(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine
CID 155210583
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
(2R,3S,4R)-4-(benzylamino)-2-methyl-6-oxooxane-3-carboxylic acid
CID 13036241

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid?
The IUPAC name of 2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid (CID 102492755) is 2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid?
The canonical SMILES for 2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid is O=C(O)C[C@H]1C[C@@H]1NCc1ccccc1.
What is the InChIKey of 2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid?
The InChIKey is WMNAIZHRDRAIKP-MNOVXSKESA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)7-10-6-11(10)13-8-9-4-2-1-3-5-9/h1-5,10-11,13H,6-8H2,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of 2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid?
2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid has a molecular weight of 205.26 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(benzylamino)cyclopropyl]acetic acid is sourced from PubChem (CID 102492755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).