acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide

C11H22N2O3 — CID 174327126

IUPACacetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
SMILESCC(=O)O.CCCCN1CCC[C@H]1C(N)=O
InChIInChI=1S/C9H18N2O.C2H4O2/c1-2-3-6-11-7-4-5-8(11)9(10)12;1-2(3)4/h8H,2-7H2,1H3,(H2,10,12);1H3,(H,3,4)/t8-;/m0./s1
InChIKeyHXYISMDEFCMDMK-QRPNPIFTSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds4

About acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide

acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide (PubChem CID 174327126) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Nameacetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
PubChem CID174327126
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameacetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
SMILESCC(=O)O.CCCCN1CCC[C@H]1C(N)=O
InChIInChI=1S/C9H18N2O.C2H4O2/c1-2-3-6-11-7-4-5-8(11)9(10)12;1-2(3)4/h8H,2-7H2,1H3,(H2,10,12);1H3,(H,3,4)/t8-;/m0./s1
InChIKeyHXYISMDEFCMDMK-QRPNPIFTSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butylpyrrolidine-2-carboxamide
CID 19388617
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625
1-(5-oxohexyl)pyrrolidine-2-carboxamide
CID 62050782
(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 45116058
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
CID 172742310
CID 172742310
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
1-decyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036162
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide?
The IUPAC name of acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide (CID 174327126) is acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide.
What is the SMILES notation for acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide?
The canonical SMILES for acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide is CC(=O)O.CCCCN1CCC[C@H]1C(N)=O.
What is the InChIKey of acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide?
The InChIKey is HXYISMDEFCMDMK-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H18N2O.C2H4O2/c1-2-3-6-11-7-4-5-8(11)9(10)12;1-2(3)4/h8H,2-7H2,1H3,(H2,10,12);1H3,(H,3,4)/t8-;/m0./s1.
What are the key properties of acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide?
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide is sourced from PubChem (CID 174327126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).