2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid

C12H14N2O5 — CID 82325403

IUPAC2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCC(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C12H14N2O5/c1-8(12(18)19)14(6-4-10(15)16)11(17)9-3-2-5-13-7-9/h2-3,5,7-8H,4,6H2,1H3,(H,15,16)(H,18,19)
InChIKeyUPFWLBRULBVTCX-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.47
Rot. Bonds6

About 2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid

2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 82325403) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
PubChem CID82325403
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(CCC(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C12H14N2O5/c1-8(12(18)19)14(6-4-10(15)16)11(17)9-3-2-5-13-7-9/h2-3,5,7-8H,4,6H2,1H3,(H,15,16)(H,18,19)
InChIKeyUPFWLBRULBVTCX-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzoyl(2-carboxyethyl)amino]propanoic acid
CID 82324506
4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
CID 54926932
3-[carboxymethyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325449
3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325412
2-[2-carboxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324587
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
3-[propan-2-yl(pyridin-3-ylmethylcarbamoyl)amino]propanoic acid
CID 61199983
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid
CID 82325431
3-[butyl(pyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 82325454

Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid (CID 82325403) is 2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid is CC(C(=O)O)N(CCC(=O)O)C(=O)c1cccnc1.
What is the InChIKey of 2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is UPFWLBRULBVTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-8(12(18)19)14(6-4-10(15)16)11(17)9-3-2-5-13-7-9/h2-3,5,7-8H,4,6H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid?
2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 266.25 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82325403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).