trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid

C11H13NO2 — CID 95002552

IUPACtrans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cccc([C@@H]2C[C@]2(N)C(=O)O)c1
InChIInChI=1S/C11H13NO2/c1-7-3-2-4-8(5-7)9-6-11(9,12)10(13)14/h2-5,9H,6,12H2,1H3,(H,13,14)/t9-,11+/m0/s1
InChIKeyLDJRJRVPQVPCNJ-GXSJLCMTSA-N
MW191.23 g/mol
LogP1.26
Rot. Bonds2

About trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid

trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 95002552) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
PubChem CID95002552
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nametrans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1cccc([C@@H]2C[C@]2(N)C(=O)O)c1
InChIInChI=1S/C11H13NO2/c1-7-3-2-4-8(5-7)9-6-11(9,12)10(13)14/h2-5,9H,6,12H2,1H3,(H,13,14)/t9-,11+/m0/s1
InChIKeyLDJRJRVPQVPCNJ-GXSJLCMTSA-N
XLogP1.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 53276282
cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 95002452
1-ethyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 84655385
trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002465
cis-(1R,2R)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002466
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
trans-(1S,2S)-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 28912189
2-(3-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 165446704
trans-(1R,3R)-3-(3-methylphenyl)cyclopentane-1-carboxylic acid
CID 95438610
tert-butyl 1-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylate
CID 175646816
1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559404

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid (CID 95002552) is trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid is Cc1cccc([C@@H]2C[C@]2(N)C(=O)O)c1.
What is the InChIKey of trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is LDJRJRVPQVPCNJ-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-3-2-4-8(5-7)9-6-11(9,12)10(13)14/h2-5,9H,6,12H2,1H3,(H,13,14)/t9-,11+/m0/s1.
What are the key properties of trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 95002552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).