2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid

C12H14N2O3 — CID 119958653

IUPAC2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
SMILESNC(=O)C1Cc2ccccc2N(CC(=O)O)C1
InChIInChI=1S/C12H14N2O3/c13-12(17)9-5-8-3-1-2-4-10(8)14(6-9)7-11(15)16/h1-4,9H,5-7H2,(H2,13,17)(H,15,16)
InChIKeyYBSHHAOSTLJZIQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.24
Rot. Bonds3

About 2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid

2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid (PubChem CID 119958653) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
PubChem CID119958653
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
SMILESNC(=O)C1Cc2ccccc2N(CC(=O)O)C1
InChIInChI=1S/C12H14N2O3/c13-12(17)9-5-8-3-1-2-4-10(8)14(6-9)7-11(15)16/h1-4,9H,5-7H2,(H2,13,17)(H,15,16)
InChIKeyYBSHHAOSTLJZIQ-UHFFFAOYSA-N
XLogP0.24
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid
CID 118657178
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942
1-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903040
1-(2,2-difluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903130
1-[(3R)-1-benzyl-3,4-dihydro-2H-quinolin-3-yl]ethanone
CID 22882347
1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902910
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
1-[(5-oxopyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 107530439
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
1-sulfino-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 126480773
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903104
2-(2-hydroxy-2,3-dihydroindol-1-yl)acetic acid
CID 133188486

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
The IUPAC name of 2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid (CID 119958653) is 2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
The canonical SMILES for 2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid is NC(=O)C1Cc2ccccc2N(CC(=O)O)C1.
What is the InChIKey of 2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
The InChIKey is YBSHHAOSTLJZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-12(17)9-5-8-3-1-2-4-10(8)14(6-9)7-11(15)16/h1-4,9H,5-7H2,(H2,13,17)(H,15,16).
What are the key properties of 2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid?
2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid has a molecular weight of 234.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid is sourced from PubChem (CID 119958653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).