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

C8H14N2O3 — CID 107261037

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H14N2O3/c1-2-3-4-7(12)10-5-6(11)8(9)13/h2,6,11H,1,3-5H2,(H2,9,13)(H,10,12)
InChIKeyWVMARESPCGOOFY-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.09
Rot. Bonds6

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

N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide (PubChem CID 107261037) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide
PubChem CID107261037
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide
SMILESC=CCCC(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H14N2O3/c1-2-3-4-7(12)10-5-6(11)8(9)13/h2,6,11H,1,3-5H2,(H2,9,13)(H,10,12)
InChIKeyWVMARESPCGOOFY-UHFFFAOYSA-N
XLogP-1.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.09
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-(3,3,3-trifluoro-2-hydroxypropyl)pent-4-enamide
CID 103726462
N-(3,3-difluoro-2-hydroxypropyl)pent-4-enamide
CID 103769689
N-(2-hydroxyethyl)pent-4-enamide
CID 59153808
3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide
CID 59578352
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
CID 59934483
2-Hydroxy-3-(prop-2-enylamino)propanamide
CID 88845668
(2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide
CID 90065128
N-[3-(diethylamino)-2-hydroxypropyl]but-3-enamide
CID 90245955
N-ethyl-2-hydroxypent-4-enamide
CID 140135052
2-hydroxy-N-propylpent-4-enamide
CID 140135060
2-hydroxy-3-(prop-2-enoylamino)-N-prop-2-enylpropanamide
CID 147004799
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane
CID 162126107

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide (CID 107261037) is N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide is C=CCCC(=O)NCC(O)C(N)=O.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide?
The InChIKey is WVMARESPCGOOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-3-4-7(12)10-5-6(11)8(9)13/h2,6,11H,1,3-5H2,(H2,9,13)(H,10,12).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide?
N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide has a molecular weight of 186.21 g/mol, XLogP of -1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide is sourced from PubChem (CID 107261037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).