4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid

C14H19N3O6 — CID 119252743

IUPAC4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)O
InChIInChI=1S/C14H19N3O6/c1-9(2)5-10(14(20)21)6-15-12(18)8-16-7-11(17(22)23)3-4-13(16)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,18)(H,20,21)
InChIKeyGGWNDATYMGMPFI-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.62
Rot. Bonds8

About 4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid

4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid (PubChem CID 119252743) has the molecular formula C14H19N3O6 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid
PubChem CID119252743
Molecular FormulaC14H19N3O6
Molecular Weight325.32 g/mol
Exact Mass325.13
IUPAC Name4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)O
InChIInChI=1S/C14H19N3O6/c1-9(2)5-10(14(20)21)6-15-12(18)8-16-7-11(17(22)23)3-4-13(16)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,18)(H,20,21)
InChIKeyGGWNDATYMGMPFI-UHFFFAOYSA-N
XLogP0.62
TPSA131.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
N-[2-(3-methylbutoxy)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 60529215
2-(5-nitro-2-oxo-1-pyridinyl)-N-[(1R)-1-phenylethyl]acetamide
CID 7890378
4-methyl-2-[[3-[(4-nitrobenzoyl)amino]propanoylamino]methyl]pentanoic acid
CID 119252668
N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119643273
N-[3-(aminomethyl)pentan-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119571533
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890090
2-methyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]pentanoic acid
CID 119191860
2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]-propan-2-ylamino]acetic acid
CID 119198013
N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890319
N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 95775228
N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 30238544

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid (CID 119252743) is 4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(=O)O.
What is the InChIKey of 4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid?
The InChIKey is GGWNDATYMGMPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6/c1-9(2)5-10(14(20)21)6-15-12(18)8-16-7-11(17(22)23)3-4-13(16)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,18)(H,20,21).
What are the key properties of 4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid?
4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid has a molecular weight of 325.32 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 119252743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).