N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C12H24N2O2 — CID 62370682

IUPACN-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCC(CO)C1
InChIInChI=1S/C12H24N2O2/c1-3-4-6-13-12(16)10(2)14-7-5-11(8-14)9-15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyWZPCOFVGTVSHFS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds6

About N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide

N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 62370682) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID62370682
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCC(CO)C1
InChIInChI=1S/C12H24N2O2/c1-3-4-6-13-12(16)10(2)14-7-5-11(8-14)9-15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyWZPCOFVGTVSHFS-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
CID 115647932
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 62370861
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
CID 80553344
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854643
2-(3-ethylpyrrolidin-1-yl)-N-methylpropanamide
CID 126990123
N-[(4-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543820

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 62370682) is N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is CCCCNC(=O)C(C)N1CCC(CO)C1.
What is the InChIKey of N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is WZPCOFVGTVSHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-6-13-12(16)10(2)14-7-5-11(8-14)9-15/h10-11,15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 62370682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).