1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea

C16H27N3O4 — CID 124841614

IUPAC1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea
SMILESCOC[C@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCCO1
InChIInChI=1S/C16H27N3O4/c1-22-10-11(12-4-2-9-23-12)17-15(21)18-13-5-6-14(20)19-16(13)7-3-8-16/h11-13H,2-10H2,1H3,(H,19,20)(H2,17,18,21)/t11-,12-,13+/m0/s1
InChIKeyAVEHPSJAQAJFGI-RWMBFGLXSA-N
MW325.41 g/mol
LogP0.68
Rot. Bonds5

About 1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea

1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea (PubChem CID 124841614) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea.

Molecular Properties

Compound Name1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea
PubChem CID124841614
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea
SMILESCOC[C@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCCO1
InChIInChI=1S/C16H27N3O4/c1-22-10-11(12-4-2-9-23-12)17-15(21)18-13-5-6-14(20)19-16(13)7-3-8-16/h11-13H,2-10H2,1H3,(H,19,20)(H2,17,18,21)/t11-,12-,13+/m0/s1
InChIKeyAVEHPSJAQAJFGI-RWMBFGLXSA-N
XLogP0.68
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea 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

4-[(6-oxo-5-azaspiro[3.5]nonan-9-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122013672
1-[3-(2-methylpropylsulfanyl)propyl]-3-[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea
CID 100750816
1-[[2-methoxy-1-(oxolan-2-yl)ethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122012361
4-chloro-3-hydroxy-N-[2-methoxy-1-(oxolan-2-yl)ethyl]benzamide
CID 154846082
4-chloro-N-[(1S)-2-methoxy-1-[(2R)-oxolan-2-yl]ethyl]-2-methylbenzamide
CID 129479879
2-[2-(difluoromethoxy)phenyl]-N-(6-oxo-5-azaspiro[3.5]nonan-9-yl)acetamide
CID 126799465
2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 100735934
N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide
CID 119036778
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475287
N-[2-methoxy-1-(oxolan-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 119036775
N-[(1R)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-2-(2-nitrophenoxy)acetamide
CID 100735557
1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine
CID 115896555

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea?
The IUPAC name of 1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea (CID 124841614) is 1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea.
What is the SMILES notation for 1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea?
The canonical SMILES for 1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea is COC[C@H](NC(=O)N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CCCO1.
What is the InChIKey of 1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea?
The InChIKey is AVEHPSJAQAJFGI-RWMBFGLXSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-22-10-11(12-4-2-9-23-12)17-15(21)18-13-5-6-14(20)19-16(13)7-3-8-16/h11-13H,2-10H2,1H3,(H,19,20)(H2,17,18,21)/t11-,12-,13+/m0/s1.
What are the key properties of 1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea?
1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea has a molecular weight of 325.41 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-3-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]urea is sourced from PubChem (CID 124841614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).