(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen

C9H18N2O2 — CID 142833543

IUPAC(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
SMILESCCCC(=O)N1CCC[C@H]1C(N)=O.[H][H]
InChIInChI=1S/C9H16N2O2.H2/c1-2-4-8(12)11-6-3-5-7(11)9(10)13;/h7H,2-6H2,1H3,(H2,10,13);1H/t7-;/m0./s1
InChIKeyWNWNTDRBLIVMQJ-FJXQXJEOSA-N
MW186.25 g/mol
LogP0.51
Rot. Bonds3

About (2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen

(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 142833543) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID142833543
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
SMILESCCCC(=O)N1CCC[C@H]1C(N)=O.[H][H]
InChIInChI=1S/C9H16N2O2.H2/c1-2-4-8(12)11-6-3-5-7(11)9(10)13;/h7H,2-6H2,1H3,(H2,10,13);1H/t7-;/m0./s1
InChIKeyWNWNTDRBLIVMQJ-FJXQXJEOSA-N
XLogP0.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 145005819
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
butanal;1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;methanamine
CID 172598050
hexane;1-propanoylpyrrolidine-2-carboxamide
CID 145081493
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
CID 76688417
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532
1-propanoylpiperidine-2-carboxamide
CID 60717244
1-butanoylpyrrolidine-2-carbaldehyde;1-methylpyrrolidine-2-carboxamide
CID 172597996
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of (2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen (CID 142833543) is (2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for (2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for (2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen is CCCC(=O)N1CCC[C@H]1C(N)=O.[H][H].
What is the InChIKey of (2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is WNWNTDRBLIVMQJ-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H16N2O2.H2/c1-2-4-8(12)11-6-3-5-7(11)9(10)13;/h7H,2-6H2,1H3,(H2,10,13);1H/t7-;/m0./s1.
What are the key properties of (2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen?
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 186.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 142833543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).