(2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide

C11H15N3O4 — CID 143329783

IUPAC(2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide
SMILESO=CNCC(=O)N1CC(=O)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C11H15N3O4/c15-6-12-4-10(17)14-5-8(16)3-9(14)11(18)13-7-1-2-7/h6-7,9H,1-5H2,(H,12,15)(H,13,18)/t9-/m0/s1
InChIKeyMMUCUBPFNYTART-VIFPVBQESA-N
MW253.26 g/mol
LogP-1.82
Rot. Bonds5

About (2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide

(2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide (PubChem CID 143329783) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide
PubChem CID143329783
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name(2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide
SMILESO=CNCC(=O)N1CC(=O)C[C@H]1C(=O)NC1CC1
InChIInChI=1S/C11H15N3O4/c15-6-12-4-10(17)14-5-8(16)3-9(14)11(18)13-7-1-2-7/h6-7,9H,1-5H2,(H,12,15)(H,13,18)/t9-/m0/s1
InChIKeyMMUCUBPFNYTART-VIFPVBQESA-N
XLogP-1.82
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
CID 171566777
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]formamide
CID 142971251
(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833402
(2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide
CID 142946535
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 119728138
(3S)-2-[4-amino-5-(2-fluorophenyl)pentanoyl]-N-cyclopropyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 143059561
N-cyclopropyl-2-(2,2-dimethylpropylamino)acetamide
CID 61167227
N-cyclopropyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 61029481
N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide
CID 122139792
4-[2-(tert-butylamino)acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098876
4-[2-[(2-aminoacetyl)amino]acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83097064
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide (CID 143329783) is (2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide is O=CNCC(=O)N1CC(=O)C[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide?
The InChIKey is MMUCUBPFNYTART-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O4/c15-6-12-4-10(17)14-5-8(16)3-9(14)11(18)13-7-1-2-7/h6-7,9H,1-5H2,(H,12,15)(H,13,18)/t9-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide has a molecular weight of 253.26 g/mol, XLogP of -1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 143329783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).