2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid

C15H17N3O3 — CID 63886576

IUPAC2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(C(N)=O)c2ccccc2n1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-5-12(15(20)21)18-13-8-10(14(16)19)9-6-3-4-7-11(9)17-13/h3-4,6-8,12H,2,5H2,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyIZWNRQPHKVSIDR-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.00
Rot. Bonds6

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

2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid (PubChem CID 63886576) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
PubChem CID63886576
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(C(N)=O)c2ccccc2n1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-5-12(15(20)21)18-13-8-10(14(16)19)9-6-3-4-7-11(9)17-13/h3-4,6-8,12H,2,5H2,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyIZWNRQPHKVSIDR-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-carbamoylquinolin-2-yl)amino]methyl]butanoic acid
CID 65226681
2-(2-aminopropylamino)quinoline-4-carboxamide
CID 63884670
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
ethyl 3-[(4-carbamoylquinolin-2-yl)amino]propanoate
CID 63885421
2-(heptan-2-ylamino)quinoline-4-carboxylic acid
CID 63539339
2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
CID 22693080
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid
CID 122060479
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
CID 102436665
2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid
CID 43631313
(2S)-5-amino-5-oxo-2-(quinolin-2-ylamino)pentanoic acid
CID 54495250

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid (CID 63886576) is 2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid is CCCC(Nc1cc(C(N)=O)c2ccccc2n1)C(=O)O.
What is the InChIKey of 2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid?
The InChIKey is IZWNRQPHKVSIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-5-12(15(20)21)18-13-8-10(14(16)19)9-6-3-4-7-11(9)17-13/h3-4,6-8,12H,2,5H2,1H3,(H2,16,19)(H,17,18)(H,20,21).
What are the key properties of 2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid?
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.00, 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]pentanoic acid is sourced from PubChem (CID 63886576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).