2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid

C14H15N3O3 — CID 62637373

IUPAC2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)c1c(C(N)=O)cnc2ccccc12
InChIInChI=1S/C14H15N3O3/c1-8(14(19)20)17(2)12-9-5-3-4-6-11(9)16-7-10(12)13(15)18/h3-8H,1-2H3,(H2,15,18)(H,19,20)
InChIKeyKOCSUZWMIQPIRW-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.24
Rot. Bonds4

About 2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid

2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid (PubChem CID 62637373) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid
PubChem CID62637373
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)c1c(C(N)=O)cnc2ccccc12
InChIInChI=1S/C14H15N3O3/c1-8(14(19)20)17(2)12-9-5-3-4-6-11(9)16-7-10(12)13(15)18/h3-8H,1-2H3,(H2,15,18)(H,19,20)
InChIKeyKOCSUZWMIQPIRW-UHFFFAOYSA-N
XLogP1.24
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61339360
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
CID 115319371
2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
CID 61012802
4-[1-cyanopropan-2-yl(methyl)amino]quinoline-3-carboxylic acid
CID 63228175
2-[(3-carbamoylquinolin-4-yl)amino]butanoic acid
CID 43669304
4-(dimethylamino)quinoline-3-carbothioamide
CID 43669612
4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 43669797
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980
4-[butan-2-yl(methyl)amino]quinoline-3-carboximidamide
CID 43669816
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
N'-hydroxy-4-[methyl(1-methylsulfanylpropan-2-yl)amino]quinoline-3-carboximidamide
CID 115985950

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid?
The IUPAC name of 2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid (CID 62637373) is 2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid is CC(C(=O)O)N(C)c1c(C(N)=O)cnc2ccccc12.
What is the InChIKey of 2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid?
The InChIKey is KOCSUZWMIQPIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8(14(19)20)17(2)12-9-5-3-4-6-11(9)16-7-10(12)13(15)18/h3-8H,1-2H3,(H2,15,18)(H,19,20).
What are the key properties of 2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid?
2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid is sourced from PubChem (CID 62637373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).