2-hydroxy-3-(3-methylbut-2-enylamino)propanamide

C8H16N2O2 — CID 106174648

IUPAC2-hydroxy-3-(3-methylbut-2-enylamino)propanamide
SMILESCC(C)=CCNCC(O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-6(2)3-4-10-5-7(11)8(9)12/h3,7,10-11H,4-5H2,1-2H3,(H2,9,12)
InChIKeyPUFPHQICENXKNE-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.61
Rot. Bonds5

About 2-hydroxy-3-(3-methylbut-2-enylamino)propanamide

2-hydroxy-3-(3-methylbut-2-enylamino)propanamide (PubChem CID 106174648) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-hydroxy-3-(3-methylbut-2-enylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(3-methylbut-2-enylamino)propanamide
PubChem CID106174648
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-hydroxy-3-(3-methylbut-2-enylamino)propanamide
SMILESCC(C)=CCNCC(O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-6(2)3-4-10-5-7(11)8(9)12/h3,7,10-11H,4-5H2,1-2H3,(H2,9,12)
InChIKeyPUFPHQICENXKNE-UHFFFAOYSA-N
XLogP-0.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-(2-hydroxypropane-1,3-diyl)bis(2-methylprop-2-enamide)
CID 20205156
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
2-hydroxy-N-(3-methylbut-2-enyl)propanamide
CID 91067648
N-[2-hydroxy-3-(2-methylprop-2-enylamino)-3-oxopropyl]-2-methylprop-2-enamide
CID 149038162
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane
CID 162126107
3-amino-2-hydroxy-N-prop-2-enylpropanamide
CID 84107085
2-Hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide
CID 106171192
3-[[(E)-but-2-enyl]amino]-2-hydroxypropanamide
CID 106174286
2-Hydroxy-3-(2-methylidenebutylamino)propanamide
CID 106174392
2-Hydroxy-3-(2-methylprop-2-enylamino)propanamide
CID 106174619

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(3-methylbut-2-enylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(3-methylbut-2-enylamino)propanamide (CID 106174648) is 2-hydroxy-3-(3-methylbut-2-enylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(3-methylbut-2-enylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(3-methylbut-2-enylamino)propanamide is CC(C)=CCNCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-(3-methylbut-2-enylamino)propanamide?
The InChIKey is PUFPHQICENXKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)3-4-10-5-7(11)8(9)12/h3,7,10-11H,4-5H2,1-2H3,(H2,9,12).
What are the key properties of 2-hydroxy-3-(3-methylbut-2-enylamino)propanamide?
2-hydroxy-3-(3-methylbut-2-enylamino)propanamide has a molecular weight of 172.23 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(3-methylbut-2-enylamino)propanamide is sourced from PubChem (CID 106174648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).