3-(hex-5-en-2-ylamino)-2-hydroxypropanamide

C9H18N2O2 — CID 106170339

IUPAC3-(hex-5-en-2-ylamino)-2-hydroxypropanamide
SMILESC=CCCC(C)NCC(O)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-3-4-5-7(2)11-6-8(12)9(10)13/h3,7-8,11-12H,1,4-6H2,2H3,(H2,10,13)
InChIKeyHZOFDFIJLIDNFA-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.22
Rot. Bonds7

About 3-(hex-5-en-2-ylamino)-2-hydroxypropanamide

3-(hex-5-en-2-ylamino)-2-hydroxypropanamide (PubChem CID 106170339) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(hex-5-en-2-ylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(hex-5-en-2-ylamino)-2-hydroxypropanamide
PubChem CID106170339
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(hex-5-en-2-ylamino)-2-hydroxypropanamide
SMILESC=CCCC(C)NCC(O)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-3-4-5-7(2)11-6-8(12)9(10)13/h3,7-8,11-12H,1,4-6H2,2H3,(H2,10,13)
InChIKeyHZOFDFIJLIDNFA-UHFFFAOYSA-N
XLogP-0.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.22
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

3-amino-N-cyclopropyl-2-hydroxyhex-5-enamide
CID 59578352
2-Hydroxy-3-(pentan-2-ylamino)propanamide
CID 106171090
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide
CID 106171617
3-(But-3-enylamino)-2-hydroxypropanamide
CID 106174364
2-Hydroxy-3-(2-methylidenebutylamino)propanamide
CID 106174392
3-(But-3-en-2-ylamino)-2-hydroxypropanamide
CID 106174427
3-(Hept-6-enylamino)-2-hydroxypropanamide
CID 106174430
2-Hydroxy-3-(3-methylbut-3-enylamino)propanamide
CID 106174637
2-Hydroxy-3-(pent-4-enylamino)propanamide
CID 106174789
3-(Cyclohex-2-en-1-ylamino)-2-hydroxypropanamide
CID 106174834
2-amino-N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide
CID 106175759
N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide
CID 107261037

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-en-2-ylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(hex-5-en-2-ylamino)-2-hydroxypropanamide (CID 106170339) is 3-(hex-5-en-2-ylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(hex-5-en-2-ylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(hex-5-en-2-ylamino)-2-hydroxypropanamide is C=CCCC(C)NCC(O)C(N)=O.
What is the InChIKey of 3-(hex-5-en-2-ylamino)-2-hydroxypropanamide?
The InChIKey is HZOFDFIJLIDNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-5-7(2)11-6-8(12)9(10)13/h3,7-8,11-12H,1,4-6H2,2H3,(H2,10,13).
What are the key properties of 3-(hex-5-en-2-ylamino)-2-hydroxypropanamide?
3-(hex-5-en-2-ylamino)-2-hydroxypropanamide has a molecular weight of 186.25 g/mol, XLogP of -0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-en-2-ylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106170339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).