(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide

C12H24N2O — CID 103797895

IUPAC(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
SMILESCCC(C)CN(CC)C(=O)[C@H]1CCCN1
InChIInChI=1S/C12H24N2O/c1-4-10(3)9-14(5-2)12(15)11-7-6-8-13-11/h10-11,13H,4-9H2,1-3H3/t10?,11-/m1/s1
InChIKeySNKXRNSSXJDFIX-RRKGBCIJSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds5

About (2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide

(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide (PubChem CID 103797895) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
PubChem CID103797895
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
SMILESCCC(C)CN(CC)C(=O)[C@H]1CCCN1
InChIInChI=1S/C12H24N2O/c1-4-10(3)9-14(5-2)12(15)11-7-6-8-13-11/h10-11,13H,4-9H2,1-3H3/t10?,11-/m1/s1
InChIKeySNKXRNSSXJDFIX-RRKGBCIJSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-ethyl-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 93267754
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990
N-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 53410858
(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide
CID 102992833
N-ethyl-N-(2-methylbutyl)piperidine-4-carboxamide
CID 79470658
N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide
CID 79470493
2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869277
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60962738
N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide
CID 64570352

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide (CID 103797895) is (2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide is CCC(C)CN(CC)C(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is SNKXRNSSXJDFIX-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-10(3)9-14(5-2)12(15)11-7-6-8-13-11/h10-11,13H,4-9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of (2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide?
(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103797895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).