N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide

C12H24N2O3 — CID 172858882

IUPACN-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)NCC[C@@H](O)CO
InChIInChI=1S/C12H24N2O3/c1-2-7-14-8-3-4-11(14)12(17)13-6-5-10(16)9-15/h10-11,15-16H,2-9H2,1H3,(H,13,17)/t10-,11?/m1/s1
InChIKeyZBWUSSAGLWBVCX-NFJWQWPMSA-N
MW244.33 g/mol
LogP-0.28
Rot. Bonds7

About N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide

N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide (PubChem CID 172858882) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide
PubChem CID172858882
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)NCC[C@@H](O)CO
InChIInChI=1S/C12H24N2O3/c1-2-7-14-8-3-4-11(14)12(17)13-6-5-10(16)9-15/h10-11,15-16H,2-9H2,1H3,(H,13,17)/t10-,11?/m1/s1
InChIKeyZBWUSSAGLWBVCX-NFJWQWPMSA-N
XLogP-0.28
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide (CID 172858882) is N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide is CCCN1CCCC1C(=O)NCC[C@@H](O)CO.
What is the InChIKey of N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide?
The InChIKey is ZBWUSSAGLWBVCX-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-7-14-8-3-4-11(14)12(17)13-6-5-10(16)9-15/h10-11,15-16H,2-9H2,1H3,(H,13,17)/t10-,11?/m1/s1.
What are the key properties of N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide?
N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide has a molecular weight of 244.33 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3,4-dihydroxybutyl]-1-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 172858882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).