N-(1-acetylcyclopropyl)-3-hydroxypropanamide

C8H13NO3 — CID 163787586

IUPACN-(1-acetylcyclopropyl)-3-hydroxypropanamide
SMILESCC(=O)C1(NC(=O)CCO)CC1
InChIInChI=1S/C8H13NO3/c1-6(11)8(3-4-8)9-7(12)2-5-10/h10H,2-5H2,1H3,(H,9,12)
InChIKeyMTWRJWCSWDUEHT-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.39
Rot. Bonds4

About N-(1-acetylcyclopropyl)-3-hydroxypropanamide

N-(1-acetylcyclopropyl)-3-hydroxypropanamide (PubChem CID 163787586) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-(1-acetylcyclopropyl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-(1-acetylcyclopropyl)-3-hydroxypropanamide
PubChem CID163787586
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC NameN-(1-acetylcyclopropyl)-3-hydroxypropanamide
SMILESCC(=O)C1(NC(=O)CCO)CC1
InChIInChI=1S/C8H13NO3/c1-6(11)8(3-4-8)9-7(12)2-5-10/h10H,2-5H2,1H3,(H,9,12)
InChIKeyMTWRJWCSWDUEHT-UHFFFAOYSA-N
XLogP-0.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylcyclobutyl)acetamide
CID 59658507
1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid
CID 115910145
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
1-[3-(2-methoxyethoxy)propanoylamino]cyclopropane-1-carboxylic acid
CID 115910125
N-(4-acetyloxan-4-yl)acetamide
CID 118218318
N-(1-acetylcyclohexyl)-2-(3,5-difluorophenyl)acetamide
CID 58974590
1-(pentanoylamino)cyclobutane-1-carboxylic acid
CID 81164926
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
N-(1-acetylcyclohexyl)-2,2-dimethylpropanamide
CID 117060178
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-(4-methylpentanoylamino)cyclopentane-1-carboxamide
CID 70921490
1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 61160411

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylcyclopropyl)-3-hydroxypropanamide?
The IUPAC name of N-(1-acetylcyclopropyl)-3-hydroxypropanamide (CID 163787586) is N-(1-acetylcyclopropyl)-3-hydroxypropanamide.
What is the SMILES notation for N-(1-acetylcyclopropyl)-3-hydroxypropanamide?
The canonical SMILES for N-(1-acetylcyclopropyl)-3-hydroxypropanamide is CC(=O)C1(NC(=O)CCO)CC1.
What is the InChIKey of N-(1-acetylcyclopropyl)-3-hydroxypropanamide?
The InChIKey is MTWRJWCSWDUEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(11)8(3-4-8)9-7(12)2-5-10/h10H,2-5H2,1H3,(H,9,12).
What are the key properties of N-(1-acetylcyclopropyl)-3-hydroxypropanamide?
N-(1-acetylcyclopropyl)-3-hydroxypropanamide has a molecular weight of 171.20 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylcyclopropyl)-3-hydroxypropanamide is sourced from PubChem (CID 163787586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).