2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid

C15H19ClN2O5 — CID 120701921

IUPAC2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cnc(OCC2CC2)c(Cl)c1)C(=O)O
InChIInChI=1S/C15H19ClN2O5/c1-22-5-4-12(15(20)21)18-13(19)10-6-11(16)14(17-7-10)23-8-9-2-3-9/h6-7,9,12H,2-5,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyOZYXDZFNVYVXPZ-UHFFFAOYSA-N
MW342.78 g/mol
LogP1.74
Rot. Bonds9

About 2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid

2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid (PubChem CID 120701921) has the molecular formula C15H19ClN2O5 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid
PubChem CID120701921
Molecular FormulaC15H19ClN2O5
Molecular Weight342.78 g/mol
Exact Mass342.10
IUPAC Name2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cnc(OCC2CC2)c(Cl)c1)C(=O)O
InChIInChI=1S/C15H19ClN2O5/c1-22-5-4-12(15(20)21)18-13(19)10-6-11(16)14(17-7-10)23-8-9-2-3-9/h6-7,9,12H,2-5,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyOZYXDZFNVYVXPZ-UHFFFAOYSA-N
XLogP1.74
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(cyclopropylmethoxy)-N-methylpyridine-3-carboxamide
CID 75503604
4-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-3-methylbutanoic acid
CID 120537180
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 62478251
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
2-[[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527118
2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 114036636
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
4-methoxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 62480545
(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975722
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methoxybutanoic acid
CID 62480013
2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119223456

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid (CID 120701921) is 2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1cnc(OCC2CC2)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid?
The InChIKey is OZYXDZFNVYVXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O5/c1-22-5-4-12(15(20)21)18-13(19)10-6-11(16)14(17-7-10)23-8-9-2-3-9/h6-7,9,12H,2-5,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid?
2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid has a molecular weight of 342.78 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-6-(cyclopropylmethoxy)pyridine-3-carbonyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120701921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).