(2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid

C11H13NO4 — CID 6604768

IUPAC(2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid
SMILESC[C@@](N)(C(=O)O)c1cccc(CC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-11(12,10(15)16)8-4-2-3-7(5-8)6-9(13)14/h2-5H,6,12H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1
InChIKeyFPWPDMVACFGSQX-NSHDSACASA-N
MW223.23 g/mol
LogP0.57
Rot. Bonds4

About (2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid

(2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid (PubChem CID 6604768) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid
PubChem CID6604768
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid
SMILESC[C@@](N)(C(=O)O)c1cccc(CC(=O)O)c1
InChIInChI=1S/C11H13NO4/c1-11(12,10(15)16)8-4-2-3-7(5-8)6-9(13)14/h2-5H,6,12H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1
InChIKeyFPWPDMVACFGSQX-NSHDSACASA-N
XLogP0.57
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
(2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid
CID 130721988
2-[3-(2-phenylpropan-2-yloxy)phenyl]acetic acid
CID 69488903
(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 165352758
2-[3-[cyclopropyl(difluoro)methyl]phenyl]acetic acid
CID 116992787
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
2-[3-(2-methoxy-2-methylpropyl)phenyl]acetic acid
CID 117111528
2-[3-(2-aminoethyl)phenyl]acetic acid
CID 18403500
2-[3-(3-methyl-2-oxobutyl)phenyl]acetic acid
CID 21340968
(2R)-2-amino-2-anthracen-2-ylpropanoic acid
CID 100968375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid (CID 6604768) is (2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid is C[C@@](N)(C(=O)O)c1cccc(CC(=O)O)c1.
What is the InChIKey of (2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid?
The InChIKey is FPWPDMVACFGSQX-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO4/c1-11(12,10(15)16)8-4-2-3-7(5-8)6-9(13)14/h2-5H,6,12H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid?
(2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 6604768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).