[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone

C19H25NO2 — CID 155877664

IUPAC[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H25NO2/c21-19(16-8-9-16)20-11-10-18(22-13-15-6-7-15)17(20)12-14-4-2-1-3-5-14/h1-5,15-18H,6-13H2/t17-,18+/m0/s1
InChIKeyVGGNRZRLPBOJND-ZWKOTPCHSA-N
MW299.41 g/mol
LogP3.04
Rot. Bonds6

About [(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone

[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 155877664) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is [(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID155877664
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H25NO2/c21-19(16-8-9-16)20-11-10-18(22-13-15-6-7-15)17(20)12-14-4-2-1-3-5-14/h1-5,15-18H,6-13H2/t17-,18+/m0/s1
InChIKeyVGGNRZRLPBOJND-ZWKOTPCHSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)-N,N-dimethylpyrrolidine-1-carboxamide
CID 97384217
(2S,3R)-3-(cyclopropylmethoxy)-2-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 97470402
(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)-1-(cyclopropylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid
CID 155847273
[(2R,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124793722
(2S,3S)-N-cyclopropyl-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97470631
[(2R,3R)-3-(cyclopropylmethoxy)-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 124794862
3-[[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methyl]pyridine
CID 97384213
[(2S,3S)-2-benzyl-3-methoxypiperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171687618
4-[[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid
CID 155850176
(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)-1-(furan-3-ylmethyl)pyrrolidine;2,2,2-trifluoroacetic acid
CID 155840976
(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)-1-(oxan-4-ylmethyl)pyrrolidine
CID 97384216
1-[(3S,4S)-3-benzyl-4-(cyclopropylmethoxy)piperidin-1-yl]-2-(dimethylamino)ethanone
CID 97477683

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone (CID 155877664) is [(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is VGGNRZRLPBOJND-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H25NO2/c21-19(16-8-9-16)20-11-10-18(22-13-15-6-7-15)17(20)12-14-4-2-1-3-5-14/h1-5,15-18H,6-13H2/t17-,18+/m0/s1.
What are the key properties of [(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone?
[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 299.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 155877664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).