3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea

C18H33N3O2 — CID 124777906

IUPAC3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea
SMILESCO[C@]1(C)C[C@@H](N(C)C(=O)NC[C@H]2CCN(C3CC3)C2)C1(C)C
InChIInChI=1S/C18H33N3O2/c1-17(2)15(10-18(17,3)23-5)20(4)16(22)19-11-13-8-9-21(12-13)14-6-7-14/h13-15H,6-12H2,1-5H3,(H,19,22)/t13-,15-,18-/m1/s1
InChIKeyXHTCQYWVNMSCOA-DDUZABMNSA-N
MW323.48 g/mol
LogP2.32
Rot. Bonds5

About 3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea

3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea (PubChem CID 124777906) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea.

Molecular Properties

Compound Name3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea
PubChem CID124777906
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea
SMILESCO[C@]1(C)C[C@@H](N(C)C(=O)NC[C@H]2CCN(C3CC3)C2)C1(C)C
InChIInChI=1S/C18H33N3O2/c1-17(2)15(10-18(17,3)23-5)20(4)16(22)19-11-13-8-9-21(12-13)14-6-7-14/h13-15H,6-12H2,1-5H3,(H,19,22)/t13-,15-,18-/m1/s1
InChIKeyXHTCQYWVNMSCOA-DDUZABMNSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea with MolForge

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797572
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797487
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 112686924
2-hydroxyethyl N-[(1-cyclopropylpyrrolidin-3-yl)methyl]carbamate
CID 79348875
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-methyl-1-(2-phenylsulfanylethyl)urea
CID 125437328
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methylbutanamide
CID 79013040
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 60567051
6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea?
The IUPAC name of 3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea (CID 124777906) is 3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea.
What is the SMILES notation for 3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea?
The canonical SMILES for 3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea is CO[C@]1(C)C[C@@H](N(C)C(=O)NC[C@H]2CCN(C3CC3)C2)C1(C)C.
What is the InChIKey of 3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea?
The InChIKey is XHTCQYWVNMSCOA-DDUZABMNSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-17(2)15(10-18(17,3)23-5)20(4)16(22)19-11-13-8-9-21(12-13)14-6-7-14/h13-15H,6-12H2,1-5H3,(H,19,22)/t13-,15-,18-/m1/s1.
What are the key properties of 3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea?
3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea has a molecular weight of 323.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea is sourced from PubChem (CID 124777906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).