1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea

C15H28N2O2 — CID 97078216

IUPAC1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESCC(C)[C@H](C)N(C(=O)N[C@@H](C)[C@@H]1CCCO1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-10(2)12(4)17(13-7-8-13)15(18)16-11(3)14-6-5-9-19-14/h10-14H,5-9H2,1-4H3,(H,16,18)/t11-,12-,14-/m0/s1
InChIKeyNMLLKDFDZJIKEB-OBJOEFQTSA-N
MW268.40 g/mol
LogP2.77
Rot. Bonds5

About 1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea

1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea (PubChem CID 97078216) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
PubChem CID97078216
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
SMILESCC(C)[C@H](C)N(C(=O)N[C@@H](C)[C@@H]1CCCO1)C1CC1
InChIInChI=1S/C15H28N2O2/c1-10(2)12(4)17(13-7-8-13)15(18)16-11(3)14-6-5-9-19-14/h10-14H,5-9H2,1-4H3,(H,16,18)/t11-,12-,14-/m0/s1
InChIKeyNMLLKDFDZJIKEB-OBJOEFQTSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]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

2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 54978439
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
(E)-4-oxo-4-[1-(oxolan-2-yl)ethylamino]but-2-enoic acid
CID 43533859
1-(oxolan-2-yl)ethylthiourea
CID 43533883
2-hydroxy-N-[1-(oxan-2-yl)ethyl]acetamide
CID 130749825
1-(1-hydroxy-4-methylpentan-3-yl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 111504834
2,2,3-trimethyl-3-[1-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 65265903
1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096067
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea (CID 97078216) is 1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea is CC(C)[C@H](C)N(C(=O)N[C@@H](C)[C@@H]1CCCO1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
The InChIKey is NMLLKDFDZJIKEB-OBJOEFQTSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10(2)12(4)17(13-7-8-13)15(18)16-11(3)14-6-5-9-19-14/h10-14H,5-9H2,1-4H3,(H,16,18)/t11-,12-,14-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea?
1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea has a molecular weight of 268.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 97078216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).