2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride

C13H24ClN3O3 — CID 164909557

IUPAC2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride
SMILESCC(C)C(=O)N[C@@H]1CN[C@H](C(=O)N2CCOCC2)C1.Cl
InChIInChI=1S/C13H23N3O3.ClH/c1-9(2)12(17)15-10-7-11(14-8-10)13(18)16-3-5-19-6-4-16;/h9-11,14H,3-8H2,1-2H3,(H,15,17);1H/t10-,11-;/m0./s1
InChIKeyNEUGPOLPAZNYPH-ACMTZBLWSA-N
MW305.81 g/mol
LogP-0.23
Rot. Bonds3

About 2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride

2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride (PubChem CID 164909557) has the molecular formula C13H24ClN3O3 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride
PubChem CID164909557
Molecular FormulaC13H24ClN3O3
Molecular Weight305.81 g/mol
Exact Mass305.15
IUPAC Name2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride
SMILESCC(C)C(=O)N[C@@H]1CN[C@H](C(=O)N2CCOCC2)C1.Cl
InChIInChI=1S/C13H23N3O3.ClH/c1-9(2)12(17)15-10-7-11(14-8-10)13(18)16-3-5-19-6-4-16;/h9-11,14H,3-8H2,1-2H3,(H,15,17);1H/t10-,11-;/m0./s1
InChIKeyNEUGPOLPAZNYPH-ACMTZBLWSA-N
XLogP-0.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
Piperazine, 1-(4-morpholinylacetyl)-4-((5-oxo-2-pyrrolidinyl)carbonyl)-
CID 3066696
1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxoprolinamide
CID 3237581
H-Val-Glu(1)-N(1)Gly-OEt.HCl
CID 44481391
2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide dihydrochloride
CID 43810708
1-cyclohexyl-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 3319860
N-[3-(Morpholin-4-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 13594968
(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 75411467
4-[(2S,4R)-4-Fluoropyrrolidine-2-carbonyl]morpholine hydrochloride
CID 121552737
N-cyclopentyl-2-methyl-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 4103169
(2S,5aS,8aR)-1-methyl-2-(3-morpholin-4-yl-3-oxopropyl)-2,3,4,5a,6,7,8,8a-octahydropyrrolo[3,2-e][1,4]diazepin-5-one
CID 45361072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride (CID 164909557) is 2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride is CC(C)C(=O)N[C@@H]1CN[C@H](C(=O)N2CCOCC2)C1.Cl.
What is the InChIKey of 2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride?
The InChIKey is NEUGPOLPAZNYPH-ACMTZBLWSA-N. The full InChI is InChI=1S/C13H23N3O3.ClH/c1-9(2)12(17)15-10-7-11(14-8-10)13(18)16-3-5-19-6-4-16;/h9-11,14H,3-8H2,1-2H3,(H,15,17);1H/t10-,11-;/m0./s1.
What are the key properties of 2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride?
2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S,5S)-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 164909557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).