3-amino-2-hydroxy-N-prop-2-enylpentanamide

C8H16N2O2 — CID 89128747

IUPAC3-amino-2-hydroxy-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(O)C(N)CC
InChIInChI=1S/C8H16N2O2/c1-3-5-10-8(12)7(11)6(9)4-2/h3,6-7,11H,1,4-5,9H2,2H3,(H,10,12)
InChIKeyZUERMZUYELPTHB-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.61
Rot. Bonds5

About 3-amino-2-hydroxy-N-prop-2-enylpentanamide

3-amino-2-hydroxy-N-prop-2-enylpentanamide (PubChem CID 89128747) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-prop-2-enylpentanamide
PubChem CID89128747
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-amino-2-hydroxy-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)C(O)C(N)CC
InChIInChI=1S/C8H16N2O2/c1-3-5-10-8(12)7(11)6(9)4-2/h3,6-7,11H,1,4-5,9H2,2H3,(H,10,12)
InChIKeyZUERMZUYELPTHB-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-prop-2-enylpentanamide?
The IUPAC name of 3-amino-2-hydroxy-N-prop-2-enylpentanamide (CID 89128747) is 3-amino-2-hydroxy-N-prop-2-enylpentanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-prop-2-enylpentanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-prop-2-enylpentanamide is C=CCNC(=O)C(O)C(N)CC.
What is the InChIKey of 3-amino-2-hydroxy-N-prop-2-enylpentanamide?
The InChIKey is ZUERMZUYELPTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-5-10-8(12)7(11)6(9)4-2/h3,6-7,11H,1,4-5,9H2,2H3,(H,10,12).
What are the key properties of 3-amino-2-hydroxy-N-prop-2-enylpentanamide?
3-amino-2-hydroxy-N-prop-2-enylpentanamide 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 3-amino-2-hydroxy-N-prop-2-enylpentanamide is sourced from PubChem (CID 89128747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).