1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C15H26N2O3 — CID 97220235

IUPAC1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCO[C@H]1C[C@@H](NC(=O)NCC2(CO)CC2)C12CCC2
InChIInChI=1S/C15H26N2O3/c1-2-20-12-8-11(15(12)4-3-5-15)17-13(19)16-9-14(10-18)6-7-14/h11-12,18H,2-10H2,1H3,(H2,16,17,19)/t11-,12+/m1/s1
InChIKeyAQXCIBYXZGRUIA-NEPJUHHUSA-N
MW282.38 g/mol
LogP1.41
Rot. Bonds6

About 1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 97220235) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID97220235
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCCO[C@H]1C[C@@H](NC(=O)NCC2(CO)CC2)C12CCC2
InChIInChI=1S/C15H26N2O3/c1-2-20-12-8-11(15(12)4-3-5-15)17-13(19)16-9-14(10-18)6-7-14/h11-12,18H,2-10H2,1H3,(H2,16,17,19)/t11-,12+/m1/s1
InChIKeyAQXCIBYXZGRUIA-NEPJUHHUSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 97220235) is 1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is CCO[C@H]1C[C@@H](NC(=O)NCC2(CO)CC2)C12CCC2.
What is the InChIKey of 1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is AQXCIBYXZGRUIA-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-20-12-8-11(15(12)4-3-5-15)17-13(19)16-9-14(10-18)6-7-14/h11-12,18H,2-10H2,1H3,(H2,16,17,19)/t11-,12+/m1/s1.
What are the key properties of 1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 282.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 97220235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).