[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (9S)-9-amino-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 59556046
[4-(3-Hydroxypropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamic acid
CID 67775643
[(3S,4R)-4-(3-hydroxypropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamic acid
CID 67775646
[(2S)-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(3R)-oxan-3-yl]propan-2-yl]carbamic acid
CID 68473298
(9S)-9-(tert-butylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
CID 68767617
Tert-butyl 3-(3-hydroxypropyl)-4-(methylamino)pyrrolidine-1-carboxylate
CID 91049836
[(3S,4S)-4-(3-hydroxypropyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamic acid
CID 123615185
tert-Butyl (4-methyl-1-oxa-7-azaspiro[4.4]nonan-9-yl)carbamate
CID 146349608
tert-butyl (4S)-4-[[(3R)-5-hydroxypyrrolidin-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 169878586
tert-butyl (2S,3aR,6aS)-3-amino-2-ethyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole-1-carboxylate
CID 169899563
[(3S)-2-(3-methoxycyclobutyl)pyrrolidin-3-yl]carbamic acid
CID 176122644
1-Oxa-7-azaspiro[4.4]nonane-7-carboxylic acid, 9-amino-, 1,1-dimethylethyl ester, (9S)-
CID 72325506

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).