(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide

C9H12N2O3 — CID 14274714

IUPAC(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
SMILESNC(=O)[C@H](N)Cc1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O3/c10-6(9(11)14)3-5-1-2-7(12)8(13)4-5/h1-2,4,6,12-13H,3,10H2,(H2,11,14)/t6-/m1/s1
InChIKeyDXOJUCNAHCVBRU-ZCFIWIBFSA-N
MW196.21 g/mol
LogP-0.55
Rot. Bonds3

About (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide

(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide (PubChem CID 14274714) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
PubChem CID14274714
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide
SMILESNC(=O)[C@H](N)Cc1ccc(O)c(O)c1
InChIInChI=1S/C9H12N2O3/c10-6(9(11)14)3-5-1-2-7(12)8(13)4-5/h1-2,4,6,12-13H,3,10H2,(H2,11,14)/t6-/m1/s1
InChIKeyDXOJUCNAHCVBRU-ZCFIWIBFSA-N
XLogP-0.55
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
CID 90701123
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;uranium
CID 157307595
CID 175932180
CID 175932180
tris((2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid);cerium
CID 163286860
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrate
CID 77239806
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;hydrochloride
CID 66974739
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid;phosphoric acid
CID 89154660
S-methyl 2-amino-3-(3,4-dihydroxyphenyl)propanethioate
CID 123598248
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
difluoromethyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate
CID 77228618
tert-butyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
CID 10857989
propyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
CID 61151507

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide (CID 14274714) is (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide is NC(=O)[C@H](N)Cc1ccc(O)c(O)c1.
What is the InChIKey of (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide?
The InChIKey is DXOJUCNAHCVBRU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-6(9(11)14)3-5-1-2-7(12)8(13)4-5/h1-2,4,6,12-13H,3,10H2,(H2,11,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide?
(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide has a molecular weight of 196.21 g/mol, XLogP of -0.55, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanamide is sourced from PubChem (CID 14274714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).