[(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid

C13H22N2O4 — CID 68517149

IUPAC[(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid
SMILESO=C(O)N[C@H](C(=O)N1CCCC1)C1CCC(O)CC1
InChIInChI=1S/C13H22N2O4/c16-10-5-3-9(4-6-10)11(14-13(18)19)12(17)15-7-1-2-8-15/h9-11,14,16H,1-8H2,(H,18,19)/t9?,10?,11-/m0/s1
InChIKeyNFIYBKRKCCYABC-ILDUYXDCSA-N
MW270.33 g/mol
LogP0.80
Rot. Bonds3

About [(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid

[(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid (PubChem CID 68517149) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is [(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid
PubChem CID68517149
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name[(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid
SMILESO=C(O)N[C@H](C(=O)N1CCCC1)C1CCC(O)CC1
InChIInChI=1S/C13H22N2O4/c16-10-5-3-9(4-6-10)11(14-13(18)19)12(17)15-7-1-2-8-15/h9-11,14,16H,1-8H2,(H,18,19)/t9?,10?,11-/m0/s1
InChIKeyNFIYBKRKCCYABC-ILDUYXDCSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid?
The IUPAC name of [(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid (CID 68517149) is [(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid?
The canonical SMILES for [(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid is O=C(O)N[C@H](C(=O)N1CCCC1)C1CCC(O)CC1.
What is the InChIKey of [(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid?
The InChIKey is NFIYBKRKCCYABC-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-10-5-3-9(4-6-10)11(14-13(18)19)12(17)15-7-1-2-8-15/h9-11,14,16H,1-8H2,(H,18,19)/t9?,10?,11-/m0/s1.
What are the key properties of [(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid?
[(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid has a molecular weight of 270.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-hydroxycyclohexyl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamic acid is sourced from PubChem (CID 68517149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).