4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide

C9H18N2O2 — CID 79192658

IUPAC4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
SMILESCN1CCC(NC(=O)CCCO)C1
InChIInChI=1S/C9H18N2O2/c1-11-5-4-8(7-11)10-9(13)3-2-6-12/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyOVKJXMABDNPXOA-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds4

About 4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide

4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide (PubChem CID 79192658) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
PubChem CID79192658
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide
SMILESCN1CCC(NC(=O)CCCO)C1
InChIInChI=1S/C9H18N2O2/c1-11-5-4-8(7-11)10-9(13)3-2-6-12/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyOVKJXMABDNPXOA-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
N-(1-methylpyrrolidin-3-yl)-12-oxotridecanamide
CID 169229027
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
N-(1-ethylpiperidin-4-yl)-4-hydroxybutanamide
CID 79192481
2-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 90442595
methyl 3-[(1-methylpyrrolidin-3-yl)amino]-3-oxopropanoate
CID 115174182
1-(2-hydroxyethyl)-3-(1-methylpyrrolidin-3-yl)urea
CID 117234415
2-cyano-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61465317
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hydroxybutanamide
CID 79204128
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide (CID 79192658) is 4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide is CN1CCC(NC(=O)CCCO)C1.
What is the InChIKey of 4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide?
The InChIKey is OVKJXMABDNPXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11-5-4-8(7-11)10-9(13)3-2-6-12/h8,12H,2-7H2,1H3,(H,10,13).
What are the key properties of 4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide?
4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide has a molecular weight of 186.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-methylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 79192658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).