(2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide

C12H15N3O5 — CID 11822044

IUPAC(2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide
SMILESCC(=O)N[C@H](CO)C(=O)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O5/c1-8(17)14-11(7-16)12(18)13-6-9-2-4-10(5-3-9)15(19)20/h2-5,11,16H,6-7H2,1H3,(H,13,18)(H,14,17)/t11-/m1/s1
InChIKeyFGNZEAIGFRZGQZ-LLVKDONJSA-N
MW281.27 g/mol
LogP-0.29
Rot. Bonds6

About (2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide

(2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide (PubChem CID 11822044) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide
PubChem CID11822044
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name(2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide
SMILESCC(=O)N[C@H](CO)C(=O)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15N3O5/c1-8(17)14-11(7-16)12(18)13-6-9-2-4-10(5-3-9)15(19)20/h2-5,11,16H,6-7H2,1H3,(H,13,18)(H,14,17)/t11-/m1/s1
InChIKeyFGNZEAIGFRZGQZ-LLVKDONJSA-N
XLogP-0.29
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.29
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

2-acetamido-N-[(4-nitrophenyl)methyl]-3-sulfanylpropanamide
CID 107769158
(2R)-2-acetamido-N-(3-hydroxypropyl)-3-(4-nitrophenyl)propanamide
CID 88742419
2-hydroxy-N-[(4-nitrophenyl)methyl]-2-phenylacetamide
CID 110900157
2-amino-3-methyl-N-[(4-nitrophenyl)methyl]pentanamide;hydrochloride
CID 119708450
2-(aminomethyl)-4,4-dimethyl-N-[(4-nitrophenyl)methyl]pentanamide
CID 107471435
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 966357
2-acetamido-3-[(4-nitrophenyl)methylsulfanyl]propanoic acid
CID 20787700
N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide
CID 129440840
4-acetamido-N-[(4-nitrophenyl)methyl]benzamide
CID 60535872
methyl 2-[[(2S)-2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-2-methylpropanoate
CID 102347201
2-acetamido-3-[2-(4-nitrophenyl)ethylamino]propanoic acid
CID 64581270
N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 4335

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide?
The IUPAC name of (2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide (CID 11822044) is (2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide is CC(=O)N[C@H](CO)C(=O)NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide?
The InChIKey is FGNZEAIGFRZGQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-8(17)14-11(7-16)12(18)13-6-9-2-4-10(5-3-9)15(19)20/h2-5,11,16H,6-7H2,1H3,(H,13,18)(H,14,17)/t11-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide?
(2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide has a molecular weight of 281.27 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide is sourced from PubChem (CID 11822044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).