2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid

C14H15N3O3 — CID 61012802

IUPAC2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1c(C(N)=O)cnc2ccccc12
InChIInChI=1S/C14H15N3O3/c1-2-17(8-12(18)19)13-9-5-3-4-6-11(9)16-7-10(13)14(15)20/h3-7H,2,8H2,1H3,(H2,15,20)(H,18,19)
InChIKeyPVQWCENJIXBMSS-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.24
Rot. Bonds5

About 2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid

2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid (PubChem CID 61012802) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
PubChem CID61012802
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1c(C(N)=O)cnc2ccccc12
InChIInChI=1S/C14H15N3O3/c1-2-17(8-12(18)19)13-9-5-3-4-6-11(9)16-7-10(13)14(15)20/h3-7H,2,8H2,1H3,(H2,15,20)(H,18,19)
InChIKeyPVQWCENJIXBMSS-UHFFFAOYSA-N
XLogP1.24
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
2-[(3-cyanoquinolin-4-yl)-ethylamino]acetic acid
CID 55028864
4-[ethyl(2-methylpropyl)amino]quinoline-3-carboxylic acid
CID 61341531
4-[ethyl(2-methylpropyl)amino]quinoline-3-carbothioamide
CID 43669643
4-[butyl(ethyl)amino]quinoline-3-carbothioamide
CID 43669583
4-[ethyl(propan-2-yl)amino]quinoline-3-carboxylic acid
CID 61340980
2-[(3-carbamoylquinolin-4-yl)-methylamino]propanoic acid
CID 62637373
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798
4-[3-aminopropyl(methyl)amino]quinoline-3-carboxamide
CID 115319371
4-[ethyl(propan-2-yl)amino]quinoline-3-carbothioamide
CID 43669634
2-[ethyl(quinoxalin-2-yl)amino]acetic acid
CID 55064040

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid?
The IUPAC name of 2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid (CID 61012802) is 2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid is CCN(CC(=O)O)c1c(C(N)=O)cnc2ccccc12.
What is the InChIKey of 2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid?
The InChIKey is PVQWCENJIXBMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-17(8-12(18)19)13-9-5-3-4-6-11(9)16-7-10(13)14(15)20/h3-7H,2,8H2,1H3,(H2,15,20)(H,18,19).
What are the key properties of 2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid?
2-[(3-carbamoylquinolin-4-yl)-ethylamino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.24, 5 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)-ethylamino]acetic acid is sourced from PubChem (CID 61012802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).