1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea

C12H25N3O2 — CID 95762985

IUPAC1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCOC[C@H](C)NC(=O)N[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-9(2)15-6-5-11(7-15)14-12(16)13-10(3)8-17-4/h9-11H,5-8H2,1-4H3,(H2,13,14,16)/t10-,11+/m0/s1
InChIKeyOGDSMXGLIQUIBT-WDEREUQCSA-N
MW243.35 g/mol
LogP0.80
Rot. Bonds5

About 1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea

1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea (PubChem CID 95762985) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
PubChem CID95762985
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
SMILESCOC[C@H](C)NC(=O)N[C@@H]1CCN(C(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-9(2)15-6-5-11(7-15)14-12(16)13-10(3)8-17-4/h9-11H,5-8H2,1-4H3,(H2,13,14,16)/t10-,11+/m0/s1
InChIKeyOGDSMXGLIQUIBT-WDEREUQCSA-N
XLogP0.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 130272361
N-(1-methoxypropan-2-yl)-1-propan-2-ylpiperidine-4-carboxamide
CID 167004447
2-chloro-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 126988298
(1-propan-2-ylpyrrolidin-3-yl)urea
CID 72571919
N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 64605853
1-[1-(2-hydroxybenzoyl)piperidin-4-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95772650
N-(2-methoxyethyl)-2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetamide
CID 112698333
1-[[(2R)-oxolan-2-yl]methyl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea
CID 124853235
1-butan-2-yl-3-cyclopropylurea
CID 45366532
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
1-cyclopropyl-3-(4-hydroxybutan-2-yl)urea
CID 78998355
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea (CID 95762985) is 1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea is COC[C@H](C)NC(=O)N[C@@H]1CCN(C(C)C)C1.
What is the InChIKey of 1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
The InChIKey is OGDSMXGLIQUIBT-WDEREUQCSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)15-6-5-11(7-15)14-12(16)13-10(3)8-17-4/h9-11H,5-8H2,1-4H3,(H2,13,14,16)/t10-,11+/m0/s1.
What are the key properties of 1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea?
1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea has a molecular weight of 243.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxypropan-2-yl]-3-[(3R)-1-propan-2-ylpyrrolidin-3-yl]urea is sourced from PubChem (CID 95762985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).