(2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide

C15H28N3O3+ — CID 9249196

IUPAC(2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
SMILESC[C@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCC2)C[C@H](C)O1
InChIInChI=1S/C15H27N3O3/c1-10-8-18(9-11(2)21-10)12(3)14(19)17-15(20)16-13-6-4-5-7-13/h10-13H,4-9H2,1-3H3,(H2,16,17,19,20)/p+1/t10-,11-,12-/m0/s1
InChIKeyGUYBNGIVIPGRSM-SRVKXCTJSA-O
MW298.41 g/mol
LogP-0.16
Rot. Bonds3

About (2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide

(2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide (PubChem CID 9249196) has the molecular formula C15H28N3O3+ and a molecular weight of 298.41 g/mol. Its IUPAC name is (2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
PubChem CID9249196
Molecular FormulaC15H28N3O3+
Molecular Weight298.41 g/mol
Exact Mass298.21
IUPAC Name(2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
SMILESC[C@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCC2)C[C@H](C)O1
InChIInChI=1S/C15H27N3O3/c1-10-8-18(9-11(2)21-10)12(3)14(19)17-15(20)16-13-6-4-5-7-13/h10-13H,4-9H2,1-3H3,(H2,16,17,19,20)/p+1/t10-,11-,12-/m0/s1
InChIKeyGUYBNGIVIPGRSM-SRVKXCTJSA-O
XLogP-0.16
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyclohexylcarbamoyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 8896287
2-chloro-N-(cyclohexylcarbamoyl)propanamide
CID 3827198
(2R)-N-(cyclohexylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide
CID 8896865
(2R)-N-(cyclohexylcarbamoyl)-2-methylsulfanylpropanamide
CID 94157804
(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 8528570
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9493229
(2R)-N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9462162
N-(cyclopentylcarbamoyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 55511040
N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2446990
(2R)-N-(cyclohexylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 8903762
(2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide
CID 7777019
(2S)-N-(cyclohexylcarbamoyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9130463

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
The IUPAC name of (2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide (CID 9249196) is (2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide.
What is the SMILES notation for (2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
The canonical SMILES for (2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide is C[C@H]1C[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCC2)C[C@H](C)O1.
What is the InChIKey of (2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
The InChIKey is GUYBNGIVIPGRSM-SRVKXCTJSA-O. The full InChI is InChI=1S/C15H27N3O3/c1-10-8-18(9-11(2)21-10)12(3)14(19)17-15(20)16-13-6-4-5-7-13/h10-13H,4-9H2,1-3H3,(H2,16,17,19,20)/p+1/t10-,11-,12-/m0/s1.
What are the key properties of (2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide?
(2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide has a molecular weight of 298.41 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclopentylcarbamoyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide is sourced from PubChem (CID 9249196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).