N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide

C10H20N2O2 — CID 64603419

IUPACN-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
SMILESCOCCC(C)NC(=O)C1CCNC1
InChIInChI=1S/C10H20N2O2/c1-8(4-6-14-2)12-10(13)9-3-5-11-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyATEMRLQOYRDZOR-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.14
Rot. Bonds5

About N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide

N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 64603419) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
PubChem CID64603419
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
SMILESCOCCC(C)NC(=O)C1CCNC1
InChIInChI=1S/C10H20N2O2/c1-8(4-6-14-2)12-10(13)9-3-5-11-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyATEMRLQOYRDZOR-UHFFFAOYSA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 18073012
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
N-(5-methylhexan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119263583
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
(3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide
CID 124727558
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119863559
N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119262989
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide (CID 64603419) is N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide is COCCC(C)NC(=O)C1CCNC1.
What is the InChIKey of N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is ATEMRLQOYRDZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(4-6-14-2)12-10(13)9-3-5-11-7-9/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide?
N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 64603419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).