(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid

C10H11N3O5 — CID 119370336

IUPAC(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C10H11N3O5/c1-5-8(3-7(4-11-5)13(17)18)9(14)12-6(2)10(15)16/h3-4,6H,1-2H3,(H,12,14)(H,15,16)/t6-/m1/s1
InChIKeyNZHOWGBJUAUHSA-ZCFIWIBFSA-N
MW253.21 g/mol
LogP0.50
Rot. Bonds4

About (2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid

(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid (PubChem CID 119370336) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is (2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
PubChem CID119370336
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C10H11N3O5/c1-5-8(3-7(4-11-5)13(17)18)9(14)12-6(2)10(15)16/h3-4,6H,1-2H3,(H,12,14)(H,15,16)/t6-/m1/s1
InChIKeyNZHOWGBJUAUHSA-ZCFIWIBFSA-N
XLogP0.50
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
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

3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]butanoic acid
CID 119347951
N-(1-hydroxypentan-3-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 109478731
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
CID 120535703
2-[(2-methyl-5-nitrobenzoyl)amino]propanoic acid
CID 61292265
2-methyl-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75376448
4-methyl-2-[[(2-methyl-5-nitropyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 120528434
(2R)-2-[(2-fluoro-5-nitrobenzoyl)amino]propanoic acid
CID 54991135
(2R)-2-[(2-bromo-5-nitrobenzoyl)amino]propanoic acid
CID 78979087
methyl (2S)-2-[(2-chloro-5-nitropyridine-3-carbonyl)amino]propanoate
CID 103803511
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 119607906
(2S)-2-[(5-nitro-2-propan-2-ylsulfanylbenzoyl)amino]propanoic acid
CID 120526021

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid (CID 119370336) is (2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid is Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is NZHOWGBJUAUHSA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11N3O5/c1-5-8(3-7(4-11-5)13(17)18)9(14)12-6(2)10(15)16/h3-4,6H,1-2H3,(H,12,14)(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid?
(2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 253.21 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119370336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).