2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide

C8H15N3O3 — CID 106175759

IUPAC2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H15N3O3/c1-2-3-5(9)8(14)11-4-6(12)7(10)13/h2,5-6,12H,1,3-4,9H2,(H2,10,13)(H,11,14)
InChIKeyAGMQTDFVCLMCDS-UHFFFAOYSA-N
MW201.23 g/mol
LogP-2.15
Rot. Bonds6

About 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide

2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide (PubChem CID 106175759) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide
PubChem CID106175759
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H15N3O3/c1-2-3-5(9)8(14)11-4-6(12)7(10)13/h2,5-6,12H,1,3-4,9H2,(H2,10,13)(H,11,14)
InChIKeyAGMQTDFVCLMCDS-UHFFFAOYSA-N
XLogP-2.15
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide
CID 105646037
2-amino-N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide
CID 105646323
(E,2S)-2-[(2-hydroxyacetyl)amino]-N-methylhept-4-enamide
CID 89064198
(2S,4E,8E)-2-[(2-hydroxyacetyl)amino]-N-methylundeca-4,8-dienamide
CID 89064246
(2S)-2-[(2-hydroxyacetyl)amino]pent-4-enamide
CID 89101575
(2S)-2-[(2-hydroxyacetyl)-methylamino]-N-methylpent-4-enamide
CID 89101589
(2R)-2-amino-N-[(2R)-3-[ethyl(methyl)amino]-2-hydroxypropyl]but-3-enamide
CID 90248651
N-(2-amino-3-hydroxybutyl)pent-4-enamide
CID 64542113
2-amino-N-(1-hydroxybutan-2-yl)pent-4-enamide
CID 81773447
2-amino-N-(2-hydroxypropyl)pent-4-enamide
CID 81773533
2-amino-N-(1-hydroxypropan-2-yl)pent-4-enamide
CID 81773562
2-amino-N-(2-hydroxyethyl)-N-propan-2-ylpent-4-enamide
CID 81773599

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide?
The IUPAC name of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide (CID 106175759) is 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide.
What is the SMILES notation for 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide?
The canonical SMILES for 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide is C=CCC(N)C(=O)NCC(O)C(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide?
The InChIKey is AGMQTDFVCLMCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-2-3-5(9)8(14)11-4-6(12)7(10)13/h2,5-6,12H,1,3-4,9H2,(H2,10,13)(H,11,14).
What are the key properties of 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide?
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide has a molecular weight of 201.23 g/mol, XLogP of -2.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide is sourced from PubChem (CID 106175759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).