N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide

C10H20N2O3 — CID 141301701

IUPACN-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCC[C@H](O)CO
InChIInChI=1S/C10H20N2O3/c1-12-6-2-3-9(12)10(15)11-5-4-8(14)7-13/h8-9,13-14H,2-7H2,1H3,(H,11,15)/t8-,9?/m0/s1
InChIKeyBJXCUBZJODTDLK-IENPIDJESA-N
MW216.28 g/mol
LogP-1.06
Rot. Bonds5

About N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide

N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 141301701) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID141301701
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCC[C@H](O)CO
InChIInChI=1S/C10H20N2O3/c1-12-6-2-3-9(12)10(15)11-5-4-8(14)7-13/h8-9,13-14H,2-7H2,1H3,(H,11,15)/t8-,9?/m0/s1
InChIKeyBJXCUBZJODTDLK-IENPIDJESA-N
XLogP-1.06
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide (CID 141301701) is N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(=O)NCC[C@H](O)CO.
What is the InChIKey of N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is BJXCUBZJODTDLK-IENPIDJESA-N. The full InChI is InChI=1S/C10H20N2O3/c1-12-6-2-3-9(12)10(15)11-5-4-8(14)7-13/h8-9,13-14H,2-7H2,1H3,(H,11,15)/t8-,9?/m0/s1.
What are the key properties of N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide?
N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 216.28 g/mol, XLogP of -1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3,4-dihydroxybutyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 141301701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).