tert-butyl 1-hydroxypyrrolidine-2-carboxylate

C9H17NO3 — CID 22666904

IUPACtert-butyl 1-hydroxypyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCN1O
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)7-5-4-6-10(7)12/h7,12H,4-6H2,1-3H3
InChIKeyLHDJFMFDNMOZEV-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.18
Rot. Bonds1

About tert-butyl 1-hydroxypyrrolidine-2-carboxylate

tert-butyl 1-hydroxypyrrolidine-2-carboxylate (PubChem CID 22666904) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl 1-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-hydroxypyrrolidine-2-carboxylate
PubChem CID22666904
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl 1-hydroxypyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCCN1O
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)7-5-4-6-10(7)12/h7,12H,4-6H2,1-3H3
InChIKeyLHDJFMFDNMOZEV-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-hydroxypyrrolidine-2-carboxylate 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

(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
CID 13299703
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230
tert-butyl (2S)-1-methylsulfonylpyrrolidine-2-carboxylate
CID 81004587
tert-butyl (2S)-1-(4-methylcyclohexyl)pyrrolidine-2-carboxylate
CID 115537275
tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
tert-butyl (2S)-1-[(E)-4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxylate
CID 10835999
tert-butyl (2S)-1-cyclopropylsulfonylpyrrolidine-2-carboxylate
CID 81004849
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate
CID 115537592
tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 81002802
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 1-hydroxypyrrolidine-2-carboxylate (CID 22666904) is tert-butyl 1-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 1-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 1-hydroxypyrrolidine-2-carboxylate is CC(C)(C)OC(=O)C1CCCN1O.
What is the InChIKey of tert-butyl 1-hydroxypyrrolidine-2-carboxylate?
The InChIKey is LHDJFMFDNMOZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)7-5-4-6-10(7)12/h7,12H,4-6H2,1-3H3.
What are the key properties of tert-butyl 1-hydroxypyrrolidine-2-carboxylate?
tert-butyl 1-hydroxypyrrolidine-2-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 22666904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).