trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid

C10H11NO2 — CID 10536660

IUPACtrans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid
SMILES[2H]C1([2H])[C@H](c2ccccc2)[C@@]1(N)C(=O)O
InChIInChI=1S/C10H11NO2/c11-10(9(12)13)6-8(10)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-,10-/m1/s1/i6D2
InChIKeyMRUPFDZGTJQLCH-AFWNEELCSA-N
MW179.22 g/mol
LogP0.96
Rot. Bonds2

About trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid

trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid (PubChem CID 10536660) has the molecular formula C10H11NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid
PubChem CID10536660
Molecular FormulaC10H11NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Nametrans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid
SMILES[2H]C1([2H])[C@H](c2ccccc2)[C@@]1(N)C(=O)O
InChIInChI=1S/C10H11NO2/c11-10(9(12)13)6-8(10)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-,10-/m1/s1/i6D2
InChIKeyMRUPFDZGTJQLCH-AFWNEELCSA-N
XLogP0.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-amino-2-phenylcyclobutane-1-carboxylic acid
CID 155893335
trans-(1R,2S)-1-amino-2-phenylcycloheptane-1-carboxylic acid
CID 34176616
1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 95002552
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
cis-(1S,2R)-1-amino-2-(benzenesulfonyl)cyclopropane-1-carboxylic acid
CID 99999201
15-aminotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 102209928
1-amino-2-phenylcyclopropane-1-carboxylic acid;methyl 1-acetamido-2-phenylcyclopropane-1-carboxylate
CID 167649996
1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276275
1-methyl-2-phenylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 118483891
cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 95002519
cis-dimethyl (2R,3S)-2-deuterio-3-phenylcyclopropane-1,1-dicarboxylate
CID 24752248

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid (CID 10536660) is trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid is [2H]C1([2H])[C@H](c2ccccc2)[C@@]1(N)C(=O)O.
What is the InChIKey of trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid?
The InChIKey is MRUPFDZGTJQLCH-AFWNEELCSA-N. The full InChI is InChI=1S/C10H11NO2/c11-10(9(12)13)6-8(10)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-,10-/m1/s1/i6D2.
What are the key properties of trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid?
trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid has a molecular weight of 179.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-amino-2,2-dideuterio-3-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10536660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).