N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide

C14H26N2O3 — CID 129343926

IUPACN-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCOC[C@@H](O)CN1CCC[C@@H]1CN(C(C)=O)C1CC1
InChIInChI=1S/C14H26N2O3/c1-11(17)16(12-5-6-12)8-13-4-3-7-15(13)9-14(18)10-19-2/h12-14,18H,3-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyXYUQNUBCOGLTAI-KGLIPLIRSA-N
MW270.37 g/mol
LogP0.47
Rot. Bonds7

About N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129343926) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID129343926
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCOC[C@@H](O)CN1CCC[C@@H]1CN(C(C)=O)C1CC1
InChIInChI=1S/C14H26N2O3/c1-11(17)16(12-5-6-12)8-13-4-3-7-15(13)9-14(18)10-19-2/h12-14,18H,3-10H2,1-2H3/t13-,14+/m1/s1
InChIKeyXYUQNUBCOGLTAI-KGLIPLIRSA-N
XLogP0.47
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide (CID 129343926) is N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide is COC[C@@H](O)CN1CCC[C@@H]1CN(C(C)=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is XYUQNUBCOGLTAI-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(17)16(12-5-6-12)8-13-4-3-7-15(13)9-14(18)10-19-2/h12-14,18H,3-10H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 270.37 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-methoxypropyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129343926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).