trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride

C11H14ClNO2 — CID 126795409

IUPACtrans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride
SMILESC[C@]1(c2ccccc2)C[C@@]1(N)C(=O)O.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-10(7-11(10,12)9(13)14)8-5-3-2-4-6-8;/h2-6H,7,12H2,1H3,(H,13,14);1H/t10-,11-;/m1./s1
InChIKeyGWTDNPXOLIYUFB-NDXYWBNTSA-N
MW227.69 g/mol
LogP1.55
Rot. Bonds2

About trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride

trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 126795409) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride
PubChem CID126795409
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nametrans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride
SMILESC[C@]1(c2ccccc2)C[C@@]1(N)C(=O)O.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-10(7-11(10,12)9(13)14)8-5-3-2-4-6-8;/h2-6H,7,12H2,1H3,(H,13,14);1H/t10-,11-;/m1./s1
InChIKeyGWTDNPXOLIYUFB-NDXYWBNTSA-N
XLogP1.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
2,2-diphenylcyclopropane-1,1-dicarboxylic acid
CID 18401961
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
trans-(1R,2S)-2-methyl-2-phenyl-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid
CID 178194698
1-amino-4,4-diphenylcyclohexane-1-carboxylic acid;1-methyl-4,4-diphenylcyclohexane-1-carboxylic acid
CID 158239833
(1R,2S)-2-methyl-1,2-diphenyl-3H-inden-1-amine
CID 67388625
methyl (1R)-2-methyl-2-phenyl-1-(pyrrole-1-carbonyl)cyclopropane-1-carboxylate
CID 134847838
1-amino-4-(dimethylamino)-4-phenylcyclohexane-1-carboxylic acid
CID 130202617
(S)-[(1R,2R)-1-bromo-2-methyl-2-phenylcyclopropyl]-phenylmethanol
CID 6933101
(1-cyano-2-methyl-2-phenylcyclopropyl) acetate
CID 539178

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride (CID 126795409) is trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride is C[C@]1(c2ccccc2)C[C@@]1(N)C(=O)O.Cl.
What is the InChIKey of trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is GWTDNPXOLIYUFB-NDXYWBNTSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-10(7-11(10,12)9(13)14)8-5-3-2-4-6-8;/h2-6H,7,12H2,1H3,(H,13,14);1H/t10-,11-;/m1./s1.
What are the key properties of trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride?
trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-amino-2-methyl-2-phenylcyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 126795409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).