(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid

C10H12N2O3 — CID 62705603

IUPAC(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
SMILESNC(=O)[C@](N)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12N2O3/c11-8(13)10(12,9(14)15)6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,11,13)(H,14,15)/t10-/m1/s1
InChIKeyAKXZZIZBQINFMO-SNVBAGLBSA-N
MW208.22 g/mol
LogP-0.50
Rot. Bonds4

About (2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid

(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid (PubChem CID 62705603) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is (2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid.

Molecular Properties

Compound Name(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
PubChem CID62705603
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
SMILESNC(=O)[C@](N)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12N2O3/c11-8(13)10(12,9(14)15)6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,11,13)(H,14,15)/t10-/m1/s1
InChIKeyAKXZZIZBQINFMO-SNVBAGLBSA-N
XLogP-0.50
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2,3-diamino-2-benzyl-3-oxopropanoate
CID 134588871
2,3-diamino-2-benzyl-3-iminopropanoic acid;hydrochloride
CID 140515646
2,4,6-triamino-2-benzyl-3,6-dioxohexanoic acid
CID 174352242
2,2-dichloro-3-phenylpropanamide
CID 21425793
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
(2R)-2-amino-2-chloro-3-phenylpropanoic acid
CID 21116120
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
CID 135070263
(2R)-2-amino-2-(aminomethyl)-3-phenylpropanoic acid
CID 91046027
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid
CID 66992934

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid?
The IUPAC name of (2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid (CID 62705603) is (2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid.
What is the SMILES notation for (2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid?
The canonical SMILES for (2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid is NC(=O)[C@](N)(Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid?
The InChIKey is AKXZZIZBQINFMO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-8(13)10(12,9(14)15)6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H2,11,13)(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid?
(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid has a molecular weight of 208.22 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid is sourced from PubChem (CID 62705603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).