2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid

C14H15N3O3 — CID 43669304

IUPAC2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid
SMILESCCC(Nc1c(C(N)=O)cnc2ccccc12)C(=O)O
InChIInChI=1S/C14H15N3O3/c1-2-10(14(19)20)17-12-8-5-3-4-6-11(8)16-7-9(12)13(15)18/h3-7,10H,2H2,1H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyGDZXPXFVACKEIG-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.61
Rot. Bonds5

About 2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid

2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid (PubChem CID 43669304) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid
PubChem CID43669304
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid
SMILESCCC(Nc1c(C(N)=O)cnc2ccccc12)C(=O)O
InChIInChI=1S/C14H15N3O3/c1-2-10(14(19)20)17-12-8-5-3-4-6-11(8)16-7-9(12)13(15)18/h3-7,10H,2H2,1H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyGDZXPXFVACKEIG-UHFFFAOYSA-N
XLogP1.61
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butan-2-ylamino)quinoline-3-carbothioamide
CID 43669556
2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid
CID 62637373
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
4-[(4-amino-4-iminobutanoyl)amino]quinoline-3-carboxamide;butanoic acid
CID 143157170
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
CID 63886576
2-(1,2,4-benzotriazin-3-ylamino)butanoic acid
CID 103203706
2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
CID 61012802
(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid
CID 7723199
4-(1-cyclopropylethylamino)quinoline-3-carboxylic acid
CID 55090979
3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
CID 113495519
2-(2,6-dibromoanilino)butanoic acid
CID 107597732
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid?
The IUPAC name of 2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid (CID 43669304) is 2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid is CCC(Nc1c(C(N)=O)cnc2ccccc12)C(=O)O.
What is the InChIKey of 2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid?
The InChIKey is GDZXPXFVACKEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-10(14(19)20)17-12-8-5-3-4-6-11(8)16-7-9(12)13(15)18/h3-7,10H,2H2,1H3,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid?
2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid is sourced from PubChem (CID 43669304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).