methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate

C10H20N2O2 — CID 89461042

IUPACmethyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CN(C(C)(C)C)C[C@H]1N
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12-5-7(8(11)6-12)9(13)14-4/h7-8H,5-6,11H2,1-4H3/t7-,8+/m0/s1
InChIKeyQWNPSQGCTDPPIY-JGVFFNPUSA-N
MW200.28 g/mol
LogP0.22
Rot. Bonds1

About methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate

methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate (PubChem CID 89461042) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate
PubChem CID89461042
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CN(C(C)(C)C)C[C@H]1N
InChIInChI=1S/C10H20N2O2/c1-10(2,3)12-5-7(8(11)6-12)9(13)14-4/h7-8H,5-6,11H2,1-4H3/t7-,8+/m0/s1
InChIKeyQWNPSQGCTDPPIY-JGVFFNPUSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-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

1-O-tert-butyl 3-O-methyl (3S,4R)-4-aminopyrrolidine-1,3-dicarboxylate
CID 58582417
dimethyl 4-aminopyrrolidine-1,3-dicarboxylate
CID 10130414
1-tert-butylpyrrolidine-3,4-diamine
CID 89335821
1-O-tert-butyl 3-O-methyl 4-aminopiperidine-1,3-dicarboxylate
CID 59216628
methyl N-[(3R,4S,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-N-methylcarbamate
CID 118531742
1-[(4S)-1-tert-butyl-4-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethylpropan-1-one
CID 154971064
(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol
CID 158152274
methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate
CID 175719062
cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
CID 55285846
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate?
The IUPAC name of methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate (CID 89461042) is methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate is COC(=O)[C@H]1CN(C(C)(C)C)C[C@H]1N.
What is the InChIKey of methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate?
The InChIKey is QWNPSQGCTDPPIY-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)12-5-7(8(11)6-12)9(13)14-4/h7-8H,5-6,11H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate?
methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4S)-4-amino-1-tert-butylpyrrolidine-3-carboxylate is sourced from PubChem (CID 89461042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).