N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide

C12H22N2O2 — CID 83071544

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC(O)C2CC2)CCCN1
InChIInChI=1S/C12H22N2O2/c1-2-12(6-3-7-14-12)11(16)13-8-10(15)9-4-5-9/h9-10,14-15H,2-8H2,1H3,(H,13,16)
InChIKeyZUSQOWOBKZXIGI-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.41
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83071544) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83071544
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCC(O)C2CC2)CCCN1
InChIInChI=1S/C12H22N2O2/c1-2-12(6-3-7-14-12)11(16)13-8-10(15)9-4-5-9/h9-10,14-15H,2-8H2,1H3,(H,13,16)
InChIKeyZUSQOWOBKZXIGI-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
CID 83071456
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
2-ethyl-N-(2-hydroxy-3-methoxypropyl)pyrrolidine-2-carboxamide
CID 83071549
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106108847
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072536
N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethylpyrrolidine-2-carboxamide
CID 83073450
2-ethyl-N-(thian-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072987
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide (CID 83071544) is N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NCC(O)C2CC2)CCCN1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is ZUSQOWOBKZXIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-12(6-3-7-14-12)11(16)13-8-10(15)9-4-5-9/h9-10,14-15H,2-8H2,1H3,(H,13,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83071544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).