1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea

C13H20N2O3 — CID 99876539

IUPAC1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
SMILESCO[C@@H](CNC(=O)NC1CCCC1)c1ccco1
InChIInChI=1S/C13H20N2O3/c1-17-12(11-7-4-8-18-11)9-14-13(16)15-10-5-2-3-6-10/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H2,14,15,16)/t12-/m0/s1
InChIKeyQUIXDNMKSDSMFB-LBPRGKRZSA-N
MW252.31 g/mol
LogP2.21
Rot. Bonds5

About 1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea

1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea (PubChem CID 99876539) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
PubChem CID99876539
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
SMILESCO[C@@H](CNC(=O)NC1CCCC1)c1ccco1
InChIInChI=1S/C13H20N2O3/c1-17-12(11-7-4-8-18-11)9-14-13(16)15-10-5-2-3-6-10/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H2,14,15,16)/t12-/m0/s1
InChIKeyQUIXDNMKSDSMFB-LBPRGKRZSA-N
XLogP2.21
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea (CID 99876539) is 1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea is CO[C@@H](CNC(=O)NC1CCCC1)c1ccco1.
What is the InChIKey of 1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea?
The InChIKey is QUIXDNMKSDSMFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-12(11-7-4-8-18-11)9-14-13(16)15-10-5-2-3-6-10/h4,7-8,10,12H,2-3,5-6,9H2,1H3,(H2,14,15,16)/t12-/m0/s1.
What are the key properties of 1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea?
1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea has a molecular weight of 252.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea is sourced from PubChem (CID 99876539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).