(2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide

C13H24N2O — CID 69164969

IUPAC(2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide
SMILESCC(C)(C)[C@]1(C)CCCN1C(=O)NC1CC1
InChIInChI=1S/C13H24N2O/c1-12(2,3)13(4)8-5-9-15(13)11(16)14-10-6-7-10/h10H,5-9H2,1-4H3,(H,14,16)/t13-/m0/s1
InChIKeyGRVVFUHEECKIGR-ZDUSSCGKSA-N
MW224.35 g/mol
LogP2.76
Rot. Bonds1

About (2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide

(2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide (PubChem CID 69164969) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide
PubChem CID69164969
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide
SMILESCC(C)(C)[C@]1(C)CCCN1C(=O)NC1CC1
InChIInChI=1S/C13H24N2O/c1-12(2,3)13(4)8-5-9-15(13)11(16)14-10-6-7-10/h10H,5-9H2,1-4H3,(H,14,16)/t13-/m0/s1
InChIKeyGRVVFUHEECKIGR-ZDUSSCGKSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butyl-2-methylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 176781659
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
2,2-dimethyl-N-(oxolan-3-yl)pyrrolidine-1-carboxamide
CID 115760684
N-(4-hydroxycyclohexyl)-3-methyl-3-propylpiperidine-1-carboxamide
CID 111470967
1-(cyclohexylcarbamoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977361
N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404109
N-(4-hydroxycyclohexyl)-2-methylthiolane-2-carboxamide
CID 80949249
N-cyclobutyl-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 115872270
4-amino-N-cyclopropyl-2,2-dimethylpyrrolidine-1-carboxamide
CID 115269144
1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 122024417
(4S)-N-cyclopentyl-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 72870335

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide (CID 69164969) is (2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide is CC(C)(C)[C@]1(C)CCCN1C(=O)NC1CC1.
What is the InChIKey of (2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide?
The InChIKey is GRVVFUHEECKIGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2,3)13(4)8-5-9-15(13)11(16)14-10-6-7-10/h10H,5-9H2,1-4H3,(H,14,16)/t13-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide?
(2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-N-cyclopropyl-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 69164969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).