(3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide

C13H23N3O2 — CID 124693849

IUPAC(3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)[C@@H]2COCCN2)CN1C1CC1
InChIInChI=1S/C13H23N3O2/c1-9-6-10(7-16(9)11-2-3-11)15-13(17)12-8-18-5-4-14-12/h9-12,14H,2-8H2,1H3,(H,15,17)/t9-,10+,12+/m1/s1
InChIKeyGLISCHBCDYPJBA-SCVCMEIPSA-N
MW253.35 g/mol
LogP-0.28
Rot. Bonds3

About (3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide

(3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide (PubChem CID 124693849) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide
PubChem CID124693849
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)[C@@H]2COCCN2)CN1C1CC1
InChIInChI=1S/C13H23N3O2/c1-9-6-10(7-16(9)11-2-3-11)15-13(17)12-8-18-5-4-14-12/h9-12,14H,2-8H2,1H3,(H,15,17)/t9-,10+,12+/m1/s1
InChIKeyGLISCHBCDYPJBA-SCVCMEIPSA-N
XLogP-0.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 119864795
(3R)-N-pyrrolidin-3-ylmorpholine-3-carboxamide;hydrochloride
CID 130748088
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)morpholine-2-carboxamide;dihydrochloride
CID 119900351
N-cycloheptylmorpholine-3-carboxamide;hydrochloride
CID 119674644
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-(2-methylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 119676476
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 119808763
N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide
CID 119818891
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
CID 102555049
2-amino-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-methylpropanamide
CID 119900290
(2S,5R)-5-(aminomethyl)-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)oxolane-2-carboxamide;dihydrochloride
CID 120801529
N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119888738

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide (CID 124693849) is (3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide is C[C@@H]1C[C@H](NC(=O)[C@@H]2COCCN2)CN1C1CC1.
What is the InChIKey of (3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide?
The InChIKey is GLISCHBCDYPJBA-SCVCMEIPSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-6-10(7-16(9)11-2-3-11)15-13(17)12-8-18-5-4-14-12/h9-12,14H,2-8H2,1H3,(H,15,17)/t9-,10+,12+/m1/s1.
What are the key properties of (3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide?
(3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide is sourced from PubChem (CID 124693849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).