3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid

C12H14N2O5 — CID 82325449

IUPAC3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(=O)O)C(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C12H14N2O5/c1-8(12(18)19)6-14(7-10(15)16)11(17)9-3-2-4-13-5-9/h2-5,8H,6-7H2,1H3,(H,15,16)(H,18,19)
InChIKeyYPCMHEIMZDNDJZ-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.33
Rot. Bonds6

About 3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid

3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 82325449) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID82325449
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CN(CC(=O)O)C(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C12H14N2O5/c1-8(12(18)19)6-14(7-10(15)16)11(17)9-3-2-4-13-5-9/h2-5,8H,6-7H2,1H3,(H,15,16)(H,18,19)
InChIKeyYPCMHEIMZDNDJZ-UHFFFAOYSA-N
XLogP0.33
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325454
2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325403
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
3-[acetyl(pyridin-3-ylmethyl)amino]-2-methylpropanoic acid
CID 82323200
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
CID 54926932
3-[ethyl(pyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 112555141
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 51172762
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
CID 82324559
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid
CID 63645112

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid (CID 82325449) is 3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid is CC(CN(CC(=O)O)C(=O)c1cccnc1)C(=O)O.
What is the InChIKey of 3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is YPCMHEIMZDNDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-8(12(18)19)6-14(7-10(15)16)11(17)9-3-2-4-13-5-9/h2-5,8H,6-7H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 266.25 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82325449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).