(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride

C10H19ClN2O — CID 131089746

IUPAC(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCC1CC1NC(=O)[C@H]1CCNC1.Cl
InChIInChI=1S/C10H18N2O.ClH/c1-2-7-5-9(7)12-10(13)8-3-4-11-6-8;/h7-9,11H,2-6H2,1H3,(H,12,13);1H/t7?,8-,9?;/m0./s1
InChIKeyXJYLMTRWKRYTCJ-SUBRPDEISA-N
MW218.73 g/mol
LogP0.93
Rot. Bonds3

About (3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride

(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 131089746) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is (3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID131089746
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCC1CC1NC(=O)[C@H]1CCNC1.Cl
InChIInChI=1S/C10H18N2O.ClH/c1-2-7-5-9(7)12-10(13)8-3-4-11-6-8;/h7-9,11H,2-6H2,1H3,(H,12,13);1H/t7?,8-,9?;/m0./s1
InChIKeyXJYLMTRWKRYTCJ-SUBRPDEISA-N
XLogP0.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylcyclopropyl)pyrrolidine-3-carboxamide
CID 63006462
N-(2-ethylcyclopropyl)-2-methylpiperidine-4-carboxamide
CID 106832165
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130644756
(3S)-N-(2-cyclopropylcyclopropyl)pyrrolidine-3-carboxamide
CID 130763155
(3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130908536
(3S)-N-(2-methyloxolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130747909
(3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 166872199
N-(4-methyloxolan-3-yl)pyrrolidine-3-carboxamide
CID 164659164
N-(2-hydroxycyclopentyl)pyrrolidine-3-carboxamide
CID 130671373
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-(2-methylthiolan-3-yl)pyrrolidine-3-carboxamide
CID 130624332
N-(2,2-diethyl-3-methoxycyclobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119821955

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride (CID 131089746) is (3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride is CCC1CC1NC(=O)[C@H]1CCNC1.Cl.
What is the InChIKey of (3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XJYLMTRWKRYTCJ-SUBRPDEISA-N. The full InChI is InChI=1S/C10H18N2O.ClH/c1-2-7-5-9(7)12-10(13)8-3-4-11-6-8;/h7-9,11H,2-6H2,1H3,(H,12,13);1H/t7?,8-,9?;/m0./s1.
What are the key properties of (3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride?
(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 218.73 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 131089746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).