2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid

C15H17N3O3 — CID 65226681

IUPAC2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1cc(C(N)=O)c2ccccc2n1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-9(15(20)21)8-17-13-7-11(14(16)19)10-5-3-4-6-12(10)18-13/h3-7,9H,2,8H2,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyFNQMNFYOIHOYOW-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.86
Rot. Bonds6

About 2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid

2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid (PubChem CID 65226681) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid
PubChem CID65226681
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1cc(C(N)=O)c2ccccc2n1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-9(15(20)21)8-17-13-7-11(14(16)19)10-5-3-4-6-12(10)18-13/h3-7,9H,2,8H2,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyFNQMNFYOIHOYOW-UHFFFAOYSA-N
XLogP1.86
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
CID 63886576
ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate
CID 63885421
2-[[(2S)-2-morpholin-4-ylpropyl]amino]quinoline-4-carboxamide
CID 94022811
2-[(quinolin-2-ylamino)methyl]pentanoic acid
CID 65224429
2-[(cinnolin-4-ylamino)methyl]butanoic acid
CID 65226536
2-(ethylamino)-N-(2-methylbutyl)quinoline-4-carboxamide
CID 62692096
2-[(quinazolin-4-ylamino)methyl]butanoic acid
CID 65226835
3-[(4-carbamothioylquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277562
2-(piperidin-4-ylmethylamino)quinoline-4-carboxamide
CID 63883886
2-(ethylamino)-N-pentan-2-ylquinoline-4-carboxamide
CID 62185765
2-[(3-aminocyclobutyl)amino]quinoline-4-carboxamide
CID 63885442

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid (CID 65226681) is 2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid is CCC(CNc1cc(C(N)=O)c2ccccc2n1)C(=O)O.
What is the InChIKey of 2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid?
The InChIKey is FNQMNFYOIHOYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-9(15(20)21)8-17-13-7-11(14(16)19)10-5-3-4-6-12(10)18-13/h3-7,9H,2,8H2,1H3,(H2,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid?
2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 65226681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).