(2S)-2-acetamido-2-(4-aminophenyl)acetic acid

C10H12N2O3 — CID 14037276

IUPAC(2S)-2-acetamido-2-(4-aminophenyl)acetic acid
SMILESCC(=O)N[C@H](C(=O)O)c1ccc(N)cc1
InChIInChI=1S/C10H12N2O3/c1-6(13)12-9(10(14)15)7-2-4-8(11)5-3-7/h2-5,9H,11H2,1H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyODQPZWCEOPHTDM-VIFPVBQESA-N
MW208.22 g/mol
LogP0.53
Rot. Bonds3

About (2S)-2-acetamido-2-(4-aminophenyl)acetic acid

(2S)-2-acetamido-2-(4-aminophenyl)acetic acid (PubChem CID 14037276) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2S)-2-acetamido-2-(4-aminophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-2-(4-aminophenyl)acetic acid
PubChem CID14037276
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2S)-2-acetamido-2-(4-aminophenyl)acetic acid
SMILESCC(=O)N[C@H](C(=O)O)c1ccc(N)cc1
InChIInChI=1S/C10H12N2O3/c1-6(13)12-9(10(14)15)7-2-4-8(11)5-3-7/h2-5,9H,11H2,1H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyODQPZWCEOPHTDM-VIFPVBQESA-N
XLogP0.53
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetamido-2-(4-nitrophenyl)acetic acid
CID 14037273
2-acetamido-2-(3,5-dimethylphenyl)acetic acid
CID 63702397
2-acetamido-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 63703455
2-acetamido-2-(1H-pyrrol-3-yl)acetic acid
CID 14212860
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
(2S)-2-acetamido-2-[3-hydroxy-4-(hydroxymethyl)phenyl]acetic acid
CID 96586653
(2S)-2-(2-methylprop-2-enoylamino)-2-phenylacetic acid
CID 22846521
2-acetamido-2-(1-benzofuran-5-yl)acetic acid
CID 20531252
methyl (3R)-3-acetamido-3-(4-aminophenyl)propanoate
CID 54419413
2-acetamido-2-phenylethanethioic S-acid
CID 54058419
methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
CID 94813092
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-2-(4-aminophenyl)acetic acid?
The IUPAC name of (2S)-2-acetamido-2-(4-aminophenyl)acetic acid (CID 14037276) is (2S)-2-acetamido-2-(4-aminophenyl)acetic acid.
What is the SMILES notation for (2S)-2-acetamido-2-(4-aminophenyl)acetic acid?
The canonical SMILES for (2S)-2-acetamido-2-(4-aminophenyl)acetic acid is CC(=O)N[C@H](C(=O)O)c1ccc(N)cc1.
What is the InChIKey of (2S)-2-acetamido-2-(4-aminophenyl)acetic acid?
The InChIKey is ODQPZWCEOPHTDM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6(13)12-9(10(14)15)7-2-4-8(11)5-3-7/h2-5,9H,11H2,1H3,(H,12,13)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-acetamido-2-(4-aminophenyl)acetic acid?
(2S)-2-acetamido-2-(4-aminophenyl)acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-2-(4-aminophenyl)acetic acid is sourced from PubChem (CID 14037276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).