(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide

C15H15N3O4 — CID 22847699

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O4/c16-14(9-10-1-7-13(19)8-2-10)15(20)17-11-3-5-12(6-4-11)18(21)22/h1-8,14,19H,9,16H2,(H,17,20)/t14-/m0/s1
InChIKeyTVHHNERSENUVQJ-AWEZNQCLSA-N
MW301.30 g/mol
LogP1.81
Rot. Bonds5

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide (PubChem CID 22847699) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide
PubChem CID22847699
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H15N3O4/c16-14(9-10-1-7-13(19)8-2-10)15(20)17-11-3-5-12(6-4-11)18(21)22/h1-8,14,19H,9,16H2,(H,17,20)/t14-/m0/s1
InChIKeyTVHHNERSENUVQJ-AWEZNQCLSA-N
XLogP1.81
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide
CID 71403958
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
(2S)-2-amino-N-[(2S,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propyl]-3-(4-hydroxyphenyl)propanamide
CID 56682178
2-amino-N-(4-nitrophenyl)butanediamide
CID 54928056
(3S)-3-amino-4-(4-nitroanilino)-4-oxobutanoic acid
CID 22859396
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 104904568
2-amino-3-(4-nitrophenyl)-N-quinolin-3-ylpropanamide
CID 129109134
(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396
(2R)-2-amino-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide
CID 129361681
N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-[(4-nitrophenyl)carbamoylamino]propanamide
CID 87927906
(2R)-2-amino-N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904585
(2R)-2,6-diamino-N-(4-nitrophenyl)hexanamide
CID 25200925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide (CID 22847699) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide is N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide?
The InChIKey is TVHHNERSENUVQJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15N3O4/c16-14(9-10-1-7-13(19)8-2-10)15(20)17-11-3-5-12(6-4-11)18(21)22/h1-8,14,19H,9,16H2,(H,17,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide has a molecular weight of 301.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 22847699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).