(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide

C14H23N3O3 — CID 145005819

IUPAC(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C14H23N3O3/c1-2-5-12(18)16-8-4-7-11(16)14(20)17-9-3-6-10(17)13(15)19/h10-11H,2-9H2,1H3,(H2,15,19)/t10-,11?/m1/s1
InChIKeyUXAFFXJAUPQBTP-NFJWQWPMSA-N
MW281.36 g/mol
LogP0.25
Rot. Bonds4

About (2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide

(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 145005819) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID145005819
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C14H23N3O3/c1-2-5-12(18)16-8-4-7-11(16)14(20)17-9-3-6-10(17)13(15)19/h10-11H,2-9H2,1H3,(H2,15,19)/t10-,11?/m1/s1
InChIKeyUXAFFXJAUPQBTP-NFJWQWPMSA-N
XLogP0.25
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine
CID 172598050
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
butanamide;1-[1-(3-hydroxybutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 172598013
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
CID 76688417
1-propanoylpiperidine-2-carboxamide
CID 60717244
1-[1-(1-dodecanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 78064271
1-butanoylpyrrolidine-2-carbaldehyde;1-methylpyrrolidine-2-carboxamide
CID 172597996
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide (CID 145005819) is (2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide is CCCC(=O)N1CCCC1C(=O)N1CCC[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is UXAFFXJAUPQBTP-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-5-12(18)16-8-4-7-11(16)14(20)17-9-3-6-10(17)13(15)19/h10-11H,2-9H2,1H3,(H2,15,19)/t10-,11?/m1/s1.
What are the key properties of (2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide?
(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 145005819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).