[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid

C14H24N2O5 — CID 67099060

IUPAC[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)O)C1C1CCOC1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)16-6-4-10(15-12(17)18)11(16)9-5-7-20-8-9/h9-11,15H,4-8H2,1-3H3,(H,17,18)
InChIKeyFPTXNULFQVNQOV-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.67
Rot. Bonds2

About [1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid

[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid (PubChem CID 67099060) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is [1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid
PubChem CID67099060
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)O)C1C1CCOC1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)16-6-4-10(15-12(17)18)11(16)9-5-7-20-8-9/h9-11,15H,4-8H2,1-3H3,(H,17,18)
InChIKeyFPTXNULFQVNQOV-UHFFFAOYSA-N
XLogP1.67
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid (CID 67099060) is [1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid is CC(C)(C)OC(=O)N1CCC(NC(=O)O)C1C1CCOC1.
What is the InChIKey of [1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is FPTXNULFQVNQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)16-6-4-10(15-12(17)18)11(16)9-5-7-20-8-9/h9-11,15H,4-8H2,1-3H3,(H,17,18).
What are the key properties of [1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid?
[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 300.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(oxolan-3-yl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 67099060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).