(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide

C15H18N4O2 — CID 29330456

IUPAC(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
SMILESCC(C)[C@H](NC(N)=O)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H18N4O2/c1-9(2)13(19-15(16)21)14(20)18-11-7-10-5-3-4-6-12(10)17-8-11/h3-9,13H,1-2H3,(H,18,20)(H3,16,19,21)/t13-/m0/s1
InChIKeyYYNQQTNHTKHBSW-ZDUSSCGKSA-N
MW286.33 g/mol
LogP1.87
Rot. Bonds4

About (2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide

(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide (PubChem CID 29330456) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
PubChem CID29330456
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
SMILESCC(C)[C@H](NC(N)=O)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H18N4O2/c1-9(2)13(19-15(16)21)14(20)18-11-7-10-5-3-4-6-12(10)17-8-11/h3-9,13H,1-2H3,(H,18,20)(H3,16,19,21)/t13-/m0/s1
InChIKeyYYNQQTNHTKHBSW-ZDUSSCGKSA-N
XLogP1.87
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide
CID 29330454
2,6-difluoro-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
CID 46525186
2-methoxy-N-[3-methyl-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]benzamide
CID 51337636
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
3-amino-3-hydroxyimino-2-methyl-N-quinolin-3-ylpropanamide
CID 76949639
2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
2-(4-aminophenyl)sulfanyl-N-quinolin-3-ylpropanamide
CID 19059113
N-(4-anilinophenyl)-2-(carbamoylamino)-3-methylbutanamide
CID 46467490
methyl N-quinolin-3-ylcarbamate
CID 19697860
(2S)-N-(1,3-benzothiazol-2-yl)-2-(carbamoylamino)-3-methylbutanamide
CID 8928085

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide?
The IUPAC name of (2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide (CID 29330456) is (2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide.
What is the SMILES notation for (2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide?
The canonical SMILES for (2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide is CC(C)[C@H](NC(N)=O)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of (2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide?
The InChIKey is YYNQQTNHTKHBSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9(2)13(19-15(16)21)14(20)18-11-7-10-5-3-4-6-12(10)17-8-11/h3-9,13H,1-2H3,(H,18,20)(H3,16,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide?
(2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide has a molecular weight of 286.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-3-methyl-N-quinolin-3-ylbutanamide is sourced from PubChem (CID 29330456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).