1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea

C18H29N3O3 — CID 124844635

IUPAC1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea
SMILESC[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)CC1=O
InChIInChI=1S/C18H29N3O3/c1-12-9-14(12)21-11-13(10-16(21)22)19-17(23)20-15-3-2-4-18(15)5-7-24-8-6-18/h12-15H,2-11H2,1H3,(H2,19,20,23)/t12-,13-,14+,15+/m1/s1
InChIKeyGNZTVLJUCCOAQK-KBXIAJHMSA-N
MW335.45 g/mol
LogP1.64
Rot. Bonds3

About 1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea

1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea (PubChem CID 124844635) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea.

Molecular Properties

Compound Name1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea
PubChem CID124844635
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea
SMILESC[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)CC1=O
InChIInChI=1S/C18H29N3O3/c1-12-9-14(12)21-11-13(10-16(21)22)19-17(23)20-15-3-2-4-18(15)5-7-24-8-6-18/h12-15H,2-11H2,1H3,(H2,19,20,23)/t12-,13-,14+,15+/m1/s1
InChIKeyGNZTVLJUCCOAQK-KBXIAJHMSA-N
XLogP1.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]oxane-3-carboxamide
CID 129424104
1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
CID 99847107
1-[(2S)-4-methylsulfonylbutan-2-yl]-3-[(4R)-8-oxaspiro[4.5]decan-4-yl]urea
CID 124849042
(2S)-N-[(3R)-1-[(1R,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 125152785
2-amino-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]cyclooctane-1-carboxamide
CID 138044350
(2R)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]piperidine-2-carboxamide
CID 125152480
(2E,4E)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]hexa-2,4-dienamide
CID 129449704
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]urea
CID 100862018
tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate
CID 146560939
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]oxolane-2-carboxamide
CID 120796128
(6R)-6-methyl-N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 124875303
2-(2-hydroxyphenyl)-N-[1-(2-methylcyclopropyl)-5-oxopyrrolidin-3-yl]acetamide
CID 71989521

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea?
The IUPAC name of 1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea (CID 124844635) is 1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea.
What is the SMILES notation for 1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea?
The canonical SMILES for 1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea is C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCCC23CCOCC3)CC1=O.
What is the InChIKey of 1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea?
The InChIKey is GNZTVLJUCCOAQK-KBXIAJHMSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12-9-14(12)21-11-13(10-16(21)22)19-17(23)20-15-3-2-4-18(15)5-7-24-8-6-18/h12-15H,2-11H2,1H3,(H2,19,20,23)/t12-,13-,14+,15+/m1/s1.
What are the key properties of 1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea?
1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea has a molecular weight of 335.45 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-[(4S)-8-oxaspiro[4.5]decan-4-yl]urea is sourced from PubChem (CID 124844635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).