1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea

C19H33N3O2 — CID 98559596

IUPAC1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
SMILESO=C(NC[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H33N3O2/c23-18(20-13-15-6-10-22(14-15)17-4-5-17)21-16-7-11-24-19(12-16)8-2-1-3-9-19/h15-17H,1-14H2,(H2,20,21,23)/t15-,16+/m0/s1
InChIKeySFCZKZWBXIPVGB-JKSUJKDBSA-N
MW335.49 g/mol
LogP2.65
Rot. Bonds4

About 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea

1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea (PubChem CID 98559596) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea.

Molecular Properties

Compound Name1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
PubChem CID98559596
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
SMILESO=C(NC[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H33N3O2/c23-18(20-13-15-6-10-22(14-15)17-4-5-17)21-16-7-11-24-19(12-16)8-2-1-3-9-19/h15-17H,1-14H2,(H2,20,21,23)/t15-,16+/m0/s1
InChIKeySFCZKZWBXIPVGB-JKSUJKDBSA-N
XLogP2.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea with MolForge

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Related Compounds

1-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 127650721
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902634
1-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235500
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
2-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]acetic acid
CID 79902227
2-[1-(aminomethyl)cyclohexyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 104677736
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
2-[1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-yl]acetic acid
CID 79894445
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]urea
CID 96512971

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea?
The IUPAC name of 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea (CID 98559596) is 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea.
What is the SMILES notation for 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea?
The canonical SMILES for 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea is O=C(NC[C@@H]1CCN(C2CC2)C1)N[C@@H]1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea?
The InChIKey is SFCZKZWBXIPVGB-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H33N3O2/c23-18(20-13-15-6-10-22(14-15)17-4-5-17)21-16-7-11-24-19(12-16)8-2-1-3-9-19/h15-17H,1-14H2,(H2,20,21,23)/t15-,16+/m0/s1.
What are the key properties of 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea?
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea has a molecular weight of 335.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea is sourced from PubChem (CID 98559596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).