N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide

C9H14N2O3 — CID 3063139

IUPACN-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C9H14N2O3/c1-7(13)10-5-9(14)11-4-2-3-8(11)6-12/h6,8H,2-5H2,1H3,(H,10,13)/t8-/m0/s1
InChIKeyHXPLRFNNPINGHP-QMMMGPOBSA-N
MW198.22 g/mol
LogP-0.69
Rot. Bonds3

About N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 3063139) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID3063139
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C9H14N2O3/c1-7(13)10-5-9(14)11-4-2-3-8(11)6-12/h6,8H,2-5H2,1H3,(H,10,13)/t8-/m0/s1
InChIKeyHXPLRFNNPINGHP-QMMMGPOBSA-N
XLogP-0.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-aminobutyryl-L-proline isobutylamide
CID 11499834
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
(2S)-N-methylpyrrolidine-2-carboxamide
CID 10374482
(2S)-aminobutyryl-L-prolinamide
CID 11579307
(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
CID 11623159
L-valyl-L-prolinamide
CID 11615440
L-norleucyl-L-prolinamide
CID 11615534
L-norvalyl-L-prolinamide
CID 11687141
(S)-1-((S)-2-amino-3-methylbutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 9970317
(2S,4S)-1-((S)-2-aminobutanoyl)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 11651969

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 3063139) is N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC[C@H]1C=O.
What is the InChIKey of N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is HXPLRFNNPINGHP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7(13)10-5-9(14)11-4-2-3-8(11)6-12/h6,8H,2-5H2,1H3,(H,10,13)/t8-/m0/s1.
What are the key properties of N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 198.22 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-formylpyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 3063139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).