N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide

C11H20N2O2 — CID 64539561

IUPACN-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCC(O)C(N)CNC(=O)CC1C=CCC1
InChIInChI=1S/C11H20N2O2/c1-8(14)10(12)7-13-11(15)6-9-4-2-3-5-9/h2,4,8-10,14H,3,5-7,12H2,1H3,(H,13,15)
InChIKeyPWOBVIHIFGIRHY-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.17
Rot. Bonds5

About N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide

N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 64539561) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID64539561
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide
SMILESCC(O)C(N)CNC(=O)CC1C=CCC1
InChIInChI=1S/C11H20N2O2/c1-8(14)10(12)7-13-11(15)6-9-4-2-3-5-9/h2,4,8-10,14H,3,5-7,12H2,1H3,(H,13,15)
InChIKeyPWOBVIHIFGIRHY-UHFFFAOYSA-N
XLogP0.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.17
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

2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide
CID 97079501
N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
CID 64542106
2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 24696738
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953
N-(3-aminopropyl)-2-cyclopent-2-en-1-ylacetamide
CID 62268451
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide
CID 115310441
tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
CID 81004154
(2S)-2-[[[2-[(1S)-cyclopent-2-en-1-yl]acetyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95583323
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
CID 43407202
2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide
CID 111444858
N-(2-amino-3-hydroxybutyl)-2-cyclopropylpropanamide
CID 83148940
2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 51382690

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide (CID 64539561) is N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide is CC(O)C(N)CNC(=O)CC1C=CCC1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is PWOBVIHIFGIRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(14)10(12)7-13-11(15)6-9-4-2-3-5-9/h2,4,8-10,14H,3,5-7,12H2,1H3,(H,13,15).
What are the key properties of N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide?
N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 212.29 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 64539561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).