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

C9H18N2O3 — CID 67308625

IUPACacetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
SMILESCC(=O)O.CCN1CCC[C@H]1C(N)=O
InChIInChI=1S/C7H14N2O.C2H4O2/c1-2-9-5-3-4-6(9)7(8)10;1-2(3)4/h6H,2-5H2,1H3,(H2,8,10);1H3,(H,3,4)/t6-;/m0./s1
InChIKeyXFELPAQXKHCTAC-RGMNGODLSA-N
MW202.25 g/mol
LogP0.05
Rot. Bonds2

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

acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide (PubChem CID 67308625) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Nameacetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
PubChem CID67308625
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameacetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
SMILESCC(=O)O.CCN1CCC[C@H]1C(N)=O
InChIInChI=1S/C7H14N2O.C2H4O2/c1-2-9-5-3-4-6(9)7(8)10;1-2(3)4/h6H,2-5H2,1H3,(H2,8,10);1H3,(H,3,4)/t6-;/m0./s1
InChIKeyXFELPAQXKHCTAC-RGMNGODLSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
CID 66737893
CID 66737893
1-butylpyrrolidine-2-carboxamide
CID 19388617
1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide
CID 59293963
(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
CID 58877739
1-(5-oxohexyl)pyrrolidine-2-carboxamide
CID 62050782
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 66936572
1-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 62051378
(2S)-1-[(2S)-1-ethylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 174164435
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide?
The IUPAC name of acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide (CID 67308625) is acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide is CC(=O)O.CCN1CCC[C@H]1C(N)=O.
What is the InChIKey of acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide?
The InChIKey is XFELPAQXKHCTAC-RGMNGODLSA-N. The full InChI is InChI=1S/C7H14N2O.C2H4O2/c1-2-9-5-3-4-6(9)7(8)10;1-2(3)4/h6H,2-5H2,1H3,(H2,8,10);1H3,(H,3,4)/t6-;/m0./s1.
What are the key properties of acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide?
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide has a molecular weight of 202.25 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67308625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).