1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea

C13H20N2O3 — CID 97417070

IUPAC1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
SMILESO=C(NCC[C@H](O)c1ccoc1)NC1CCCC1
InChIInChI=1S/C13H20N2O3/c16-12(10-6-8-18-9-10)5-7-14-13(17)15-11-3-1-2-4-11/h6,8-9,11-12,16H,1-5,7H2,(H2,14,15,17)/t12-/m0/s1
InChIKeyYRTQRLQPALYAFD-LBPRGKRZSA-N
MW252.31 g/mol
LogP1.94
Rot. Bonds5

About 1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea

1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea (PubChem CID 97417070) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
PubChem CID97417070
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
SMILESO=C(NCC[C@H](O)c1ccoc1)NC1CCCC1
InChIInChI=1S/C13H20N2O3/c16-12(10-6-8-18-9-10)5-7-14-13(17)15-11-3-1-2-4-11/h6,8-9,11-12,16H,1-5,7H2,(H2,14,15,17)/t12-/m0/s1
InChIKeyYRTQRLQPALYAFD-LBPRGKRZSA-N
XLogP1.94
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea (CID 97417070) is 1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea is O=C(NCC[C@H](O)c1ccoc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea?
The InChIKey is YRTQRLQPALYAFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-12(10-6-8-18-9-10)5-7-14-13(17)15-11-3-1-2-4-11/h6,8-9,11-12,16H,1-5,7H2,(H2,14,15,17)/t12-/m0/s1.
What are the key properties of 1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea?
1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea has a molecular weight of 252.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea is sourced from PubChem (CID 97417070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).