3-(hept-6-enylamino)-2-hydroxypropanamide

C10H20N2O2 — CID 106174430

IUPAC3-(hept-6-enylamino)-2-hydroxypropanamide
SMILESC=CCCCCCNCC(O)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-2-3-4-5-6-7-12-8-9(13)10(11)14/h2,9,12-13H,1,3-8H2,(H2,11,14)
InChIKeyQMHRMLKCNGWMHS-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.17
Rot. Bonds9

About 3-(hept-6-enylamino)-2-hydroxypropanamide

3-(hept-6-enylamino)-2-hydroxypropanamide (PubChem CID 106174430) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(hept-6-enylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(hept-6-enylamino)-2-hydroxypropanamide
PubChem CID106174430
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(hept-6-enylamino)-2-hydroxypropanamide
SMILESC=CCCCCCNCC(O)C(N)=O
InChIInChI=1S/C10H20N2O2/c1-2-3-4-5-6-7-12-8-9(13)10(11)14/h2,9,12-13H,1,3-8H2,(H2,11,14)
InChIKeyQMHRMLKCNGWMHS-UHFFFAOYSA-N
XLogP0.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.17
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-(3-amino-2-hydroxy-3-oxopropyl)but-3-enamide
CID 106164737
3-(Hex-5-en-2-ylamino)-2-hydroxypropanamide
CID 106170339
3-(Cyclohex-3-en-1-ylmethylamino)-2-hydroxypropanamide
CID 106171137
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-2-hydroxypropanamide
CID 106171617
3-(But-3-enylamino)-2-hydroxypropanamide
CID 106174364
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
N-(3-amino-2-hydroxy-3-oxopropyl)pent-4-enamide
CID 107261037
3-[2-hydroxyhex-5-enyl(methyl)amino]-N,2-dimethylpropanamide
CID 112283718

Frequently Asked Questions

What is the IUPAC name of 3-(hept-6-enylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(hept-6-enylamino)-2-hydroxypropanamide (CID 106174430) is 3-(hept-6-enylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(hept-6-enylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(hept-6-enylamino)-2-hydroxypropanamide is C=CCCCCCNCC(O)C(N)=O.
What is the InChIKey of 3-(hept-6-enylamino)-2-hydroxypropanamide?
The InChIKey is QMHRMLKCNGWMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-4-5-6-7-12-8-9(13)10(11)14/h2,9,12-13H,1,3-8H2,(H2,11,14).
What are the key properties of 3-(hept-6-enylamino)-2-hydroxypropanamide?
3-(hept-6-enylamino)-2-hydroxypropanamide has a molecular weight of 200.28 g/mol, XLogP of 0.17, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hept-6-enylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106174430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).