3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide

C9H16N2O2 — CID 163505050

IUPAC3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide
SMILESNCC(O)C(=O)NCC1C=CCC1
InChIInChI=1S/C9H16N2O2/c10-5-8(12)9(13)11-6-7-3-1-2-4-7/h1,3,7-8,12H,2,4-6,10H2,(H,11,13)
InChIKeyCXWKLWIHWSEOEP-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.61
Rot. Bonds4

About 3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide

3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide (PubChem CID 163505050) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide
PubChem CID163505050
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide
SMILESNCC(O)C(=O)NCC1C=CCC1
InChIInChI=1S/C9H16N2O2/c10-5-8(12)9(13)11-6-7-3-1-2-4-7/h1,3,7-8,12H,2,4-6,10H2,(H,11,13)
InChIKeyCXWKLWIHWSEOEP-UHFFFAOYSA-N
XLogP-0.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
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-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide?
The IUPAC name of 3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide (CID 163505050) is 3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide.
What is the SMILES notation for 3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide?
The canonical SMILES for 3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide is NCC(O)C(=O)NCC1C=CCC1.
What is the InChIKey of 3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide?
The InChIKey is CXWKLWIHWSEOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-5-8(12)9(13)11-6-7-3-1-2-4-7/h1,3,7-8,12H,2,4-6,10H2,(H,11,13).
What are the key properties of 3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide?
3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide has a molecular weight of 184.24 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopent-2-en-1-ylmethyl)-2-hydroxypropanamide is sourced from PubChem (CID 163505050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).