4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid

C17H21N3O4 — CID 122091763

IUPAC4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid
SMILESCn1c(=O)ccc2ccc(NC(=O)NC(C)(C)CCC(=O)O)cc21
InChIInChI=1S/C17H21N3O4/c1-17(2,9-8-15(22)23)19-16(24)18-12-6-4-11-5-7-14(21)20(3)13(11)10-12/h4-7,10H,8-9H2,1-3H3,(H,22,23)(H2,18,19,24)
InChIKeyYYRGGEDXRBYWEX-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.30
Rot. Bonds5

About 4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid

4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid (PubChem CID 122091763) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid
PubChem CID122091763
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid
SMILESCn1c(=O)ccc2ccc(NC(=O)NC(C)(C)CCC(=O)O)cc21
InChIInChI=1S/C17H21N3O4/c1-17(2,9-8-15(22)23)19-16(24)18-12-6-4-11-5-7-14(21)20(3)13(11)10-12/h4-7,10H,8-9H2,1-3H3,(H,22,23)(H2,18,19,24)
InChIKeyYYRGGEDXRBYWEX-UHFFFAOYSA-N
XLogP2.30
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-[(2-methyl-1-oxoisoquinolin-7-yl)carbamoylamino]pentanoic acid
CID 122093137
4-methyl-4-[(1-methyl-2-oxo-3H-indol-5-yl)carbamoylamino]pentanoic acid
CID 122092019
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
4-methyl-4-[(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)carbamoylamino]pentanoic acid
CID 122086252
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
CID 122094608
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
4-[(3-carbamoylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107809515
4-[(4-cyanophenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043313
4-methyl-4-[[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]carbamoylamino]pentanoic acid
CID 122088535
4-methyl-4-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-ylcarbamoylamino)pentanoic acid
CID 122074288
4-[(3-ethoxy-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122076618

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid (CID 122091763) is 4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid is Cn1c(=O)ccc2ccc(NC(=O)NC(C)(C)CCC(=O)O)cc21.
What is the InChIKey of 4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid?
The InChIKey is YYRGGEDXRBYWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-17(2,9-8-15(22)23)19-16(24)18-12-6-4-11-5-7-14(21)20(3)13(11)10-12/h4-7,10H,8-9H2,1-3H3,(H,22,23)(H2,18,19,24).
What are the key properties of 4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid?
4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid has a molecular weight of 331.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(1-methyl-2-oxoquinolin-7-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 122091763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).