(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid

C9H13N3O3 — CID 66992934

IUPAC(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid
SMILESNN(N)[C@@](O)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H13N3O3/c10-12(11)9(15,8(13)14)6-7-4-2-1-3-5-7/h1-5,15H,6,10-11H2,(H,13,14)/t9-/m1/s1
InChIKeySVRZEOYAJZNNRS-SECBINFHSA-N
MW211.22 g/mol
LogP-0.95
Rot. Bonds4

About (2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid

(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid (PubChem CID 66992934) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid
PubChem CID66992934
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid
SMILESNN(N)[C@@](O)(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H13N3O3/c10-12(11)9(15,8(13)14)6-7-4-2-1-3-5-7/h1-5,15H,6,10-11H2,(H,13,14)/t9-/m1/s1
InChIKeySVRZEOYAJZNNRS-SECBINFHSA-N
XLogP-0.95
TPSA112.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
CID 62705603
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2S)-2-benzyl-2,3-dihydroxypropanamide
CID 67629888
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
(2S)-2-amino-2-(dimethylamino)-3-phenylpropanoic acid
CID 118963176
(2S,3S)-2,3-dihydroxy-2,3-bis(2-phenylacetyl)butanedioic acid
CID 141194460
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
azane;3-benzylpentan-3-ol
CID 173295411
(3S)-3-amino-2-benzyl-2-hydroxybutanedioic acid
CID 123310033

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid (CID 66992934) is (2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid is NN(N)[C@@](O)(Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid?
The InChIKey is SVRZEOYAJZNNRS-SECBINFHSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-12(11)9(15,8(13)14)6-7-4-2-1-3-5-7/h1-5,15H,6,10-11H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid?
(2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diaminoamino)-2-hydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 66992934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).