1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea

C13H24N2O2 — CID 95635907

IUPAC1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
SMILESCOC[C@H](C)NC(=O)N(C1CC1)[C@@H](C)C1CC1
InChIInChI=1S/C13H24N2O2/c1-9(8-17-3)14-13(16)15(12-6-7-12)10(2)11-4-5-11/h9-12H,4-8H2,1-3H3,(H,14,16)/t9-,10-/m0/s1
InChIKeyYNMMRVIUOGPFGD-UWVGGRQHSA-N
MW240.35 g/mol
LogP1.99
Rot. Bonds6

About 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea

1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea (PubChem CID 95635907) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
PubChem CID95635907
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
SMILESCOC[C@H](C)NC(=O)N(C1CC1)[C@@H](C)C1CC1
InChIInChI=1S/C13H24N2O2/c1-9(8-17-3)14-13(16)15(12-6-7-12)10(2)11-4-5-11/h9-12H,4-8H2,1-3H3,(H,14,16)/t9-,10-/m0/s1
InChIKeyYNMMRVIUOGPFGD-UWVGGRQHSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea?
The IUPAC name of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea (CID 95635907) is 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea is COC[C@H](C)NC(=O)N(C1CC1)[C@@H](C)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea?
The InChIKey is YNMMRVIUOGPFGD-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(8-17-3)14-13(16)15(12-6-7-12)10(2)11-4-5-11/h9-12H,4-8H2,1-3H3,(H,14,16)/t9-,10-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea?
1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea has a molecular weight of 240.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(2S)-1-methoxypropan-2-yl]urea is sourced from PubChem (CID 95635907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).