2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid

C12H14N2O3 — CID 119203438

IUPAC2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccncc1)C1CC1
InChIInChI=1S/C12H14N2O3/c1-8(12(16)17)14(10-2-3-10)11(15)9-4-6-13-7-5-9/h4-8,10H,2-3H2,1H3,(H,16,17)
InChIKeyMRTUFCGAOZKDQG-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.16
Rot. Bonds4

About 2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid

2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid (PubChem CID 119203438) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
PubChem CID119203438
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccncc1)C1CC1
InChIInChI=1S/C12H14N2O3/c1-8(12(16)17)14(10-2-3-10)11(15)9-4-6-13-7-5-9/h4-8,10H,2-3H2,1H3,(H,16,17)
InChIKeyMRTUFCGAOZKDQG-UHFFFAOYSA-N
XLogP1.16
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[cyclobutyl(pyridine-4-carbonyl)amino]propanoate
CID 99795385
2-[cyclopropyl-(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 119202765
2-[cyclopropyl(pyridine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 86779610
2-[cyclopropyl-[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoic acid
CID 120519187
2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid
CID 119202685
2-[cyclopropyl-[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 122067321
2-[cyclopropyl-[4-[(ethylsulfonylamino)methyl]benzoyl]amino]propanoic acid
CID 119203043
2-[cyclopropyl-(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 119202183
2-[cyclopropyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119203427
2-[cyclopropyl-(3-hydroxy-4-nitrobenzoyl)amino]propanoic acid
CID 122067377
2-[cyclopropyl-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]amino]propanoic acid
CID 120519337
2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid
CID 122067493

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid (CID 119203438) is 2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)c1ccncc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is MRTUFCGAOZKDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(12(16)17)14(10-2-3-10)11(15)9-4-6-13-7-5-9/h4-8,10H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid?
2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 234.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119203438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).