(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid

C8H9NO2 — CID 71309299

IUPAC(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
SMILESN[C@@H](C(=O)O)[13c]1[13cH][13cH][13cH][13cH][13cH]1
InChIInChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyZGUNAGUHMKGQNY-MXCTURFOSA-N
MW157.12 g/mol
LogP0.77
Rot. Bonds2

About (2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid

(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid (PubChem CID 71309299) has the molecular formula C8H9NO2 and a molecular weight of 157.12 g/mol. Its IUPAC name is (2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
PubChem CID71309299
Molecular FormulaC8H9NO2
Molecular Weight157.12 g/mol
Exact Mass157.08
IUPAC Name(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
SMILESN[C@@H](C(=O)O)[13c]1[13cH][13cH][13cH][13cH][13cH]1
InChIInChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKeyZGUNAGUHMKGQNY-MXCTURFOSA-N
XLogP0.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-phenylacetic acid;benzene
CID 18446848
CID 172809734
CID 172809734
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
(2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid
CID 70231185
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
CID 67151724
2-amino-2-phenylacetyl chloride;hydron;chloride
CID 51056098
2-amino-2-pyridin-4-ylacetic acid;hydrochloride
CID 42614333
2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
CID 155934555
2-amino-2-deuterio-2-phenylacetic acid
CID 165358860

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid (CID 71309299) is (2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid is N[C@@H](C(=O)O)[13c]1[13cH][13cH][13cH][13cH][13cH]1.
What is the InChIKey of (2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid?
The InChIKey is ZGUNAGUHMKGQNY-MXCTURFOSA-N. The full InChI is InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1.
What are the key properties of (2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid?
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid has a molecular weight of 157.12 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid is sourced from PubChem (CID 71309299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).