N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide

C10H17N3O2 — CID 143555575

IUPACN-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide
SMILESC=CCC(NC(=O)C1CCCN1)C(N)=O
InChIInChI=1S/C10H17N3O2/c1-2-4-7(9(11)14)13-10(15)8-5-3-6-12-8/h2,7-8,12H,1,3-6H2,(H2,11,14)(H,13,15)
InChIKeyFFAZBWKMELICIQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.72
Rot. Bonds5

About N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide

N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide (PubChem CID 143555575) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide
PubChem CID143555575
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide
SMILESC=CCC(NC(=O)C1CCCN1)C(N)=O
InChIInChI=1S/C10H17N3O2/c1-2-4-7(9(11)14)13-10(15)8-5-3-6-12-8/h2,7-8,12H,1,3-6H2,(H2,11,14)(H,13,15)
InChIKeyFFAZBWKMELICIQ-UHFFFAOYSA-N
XLogP-0.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
(2S)-N-[(2S)-1-amino-3-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 170382323
(2R)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103870279
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
(3S)-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 143102734
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
(2S)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 122581370
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
4-amino-2-[[3-carboxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-4-oxobutanoic acid
CID 18223476
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide (CID 143555575) is N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide is C=CCC(NC(=O)C1CCCN1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is FFAZBWKMELICIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-4-7(9(11)14)13-10(15)8-5-3-6-12-8/h2,7-8,12H,1,3-6H2,(H2,11,14)(H,13,15).
What are the key properties of N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide?
N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 211.26 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopent-4-en-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 143555575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).