3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid

C17H21N3O4 — CID 122090477

IUPAC3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1
InChIInChI=1S/C17H21N3O4/c21-15-6-3-12-9-13(19-17(24)18-8-7-16(22)23)4-5-14(12)20(15)10-11-1-2-11/h4-5,9,11H,1-3,6-8,10H2,(H,22,23)(H2,18,19,24)
InChIKeyXBVRIWMCZZZLFU-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.97
Rot. Bonds6

About 3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid

3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid (PubChem CID 122090477) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid
PubChem CID122090477
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1
InChIInChI=1S/C17H21N3O4/c21-15-6-3-12-9-13(19-17(24)18-8-7-16(22)23)4-5-14(12)20(15)10-11-1-2-11/h4-5,9,11H,1-3,6-8,10H2,(H,22,23)(H2,18,19,24)
InChIKeyXBVRIWMCZZZLFU-UHFFFAOYSA-N
XLogP1.97
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid with MolForge

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Related Compounds

3-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)carbamoylamino]propanoic acid
CID 122089851
1-[(1-cyclopropylcyclobutyl)methyl]-3-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 127927248
1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea
CID 91911275
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494
1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea
CID 30376456
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-pyridin-2-ylethyl)urea
CID 75522555
3-[methyl-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)carbamoyl]amino]propanoic acid
CID 122088702
6-amino-1-(cyclohexylmethyl)-3,4-dihydroquinolin-2-one
CID 43446552
1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one
CID 91244258
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea
CID 30376599

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid (CID 122090477) is 3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid is O=C(O)CCNC(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1.
What is the InChIKey of 3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid?
The InChIKey is XBVRIWMCZZZLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-15-6-3-12-9-13(19-17(24)18-8-7-16(22)23)4-5-14(12)20(15)10-11-1-2-11/h4-5,9,11H,1-3,6-8,10H2,(H,22,23)(H2,18,19,24).
What are the key properties of 3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid?
3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid has a molecular weight of 331.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122090477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).