propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate

C9H18N2O2 — CID 115300213

IUPACpropan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
SMILESCNC1CCN(C(=O)OC(C)C)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)13-9(12)11-5-4-8(6-11)10-3/h7-8,10H,4-6H2,1-3H3
InChIKeyVYJKGRHBRIKLMJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds2

About propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate

propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate (PubChem CID 115300213) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
PubChem CID115300213
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namepropan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
SMILESCNC1CCN(C(=O)OC(C)C)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)13-9(12)11-5-4-8(6-11)10-3/h7-8,10H,4-6H2,1-3H3
InChIKeyVYJKGRHBRIKLMJ-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 3-(methylamino)pyrrolidine-1-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

propan-2-yl 3-acetamidopyrrolidine-1-carboxylate
CID 77434024
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633
propan-2-yl 4-(pentan-2-ylamino)piperidine-1-carboxylate
CID 142975132
propan-2-yl 4-propan-2-ylazepane-1-carboxylate
CID 116656252
propan-2-yl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 116656597
propan-2-yl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 124559521
3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 83697103
propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate
CID 79867797
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891993
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
(3R)-1-propan-2-yloxycarbonylpiperidine-3-carboxylic acid
CID 81119636

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate (CID 115300213) is propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate is CNC1CCN(C(=O)OC(C)C)C1.
What is the InChIKey of propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate?
The InChIKey is VYJKGRHBRIKLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)13-9(12)11-5-4-8(6-11)10-3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate?
propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 115300213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).