methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate

C12H24N2O2 — CID 115891993

IUPACmethyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate
SMILESCCC(C)C(C)NC1CCN(C(=O)OC)C1
InChIInChI=1S/C12H24N2O2/c1-5-9(2)10(3)13-11-6-7-14(8-11)12(15)16-4/h9-11,13H,5-8H2,1-4H3
InChIKeyWCERZSLXSKVVHP-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds4

About methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate

methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate (PubChem CID 115891993) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate
PubChem CID115891993
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate
SMILESCCC(C)C(C)NC1CCN(C(=O)OC)C1
InChIInChI=1S/C12H24N2O2/c1-5-9(2)10(3)13-11-6-7-14(8-11)12(15)16-4/h9-11,13H,5-8H2,1-4H3
InChIKeyWCERZSLXSKVVHP-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(3-methylpentan-2-ylamino)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

methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891994
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
ethane;methyl (3S)-3-(ethylamino)pyrrolidine-1-carboxylate;molecular hydrogen
CID 177317699
methyl 3-butan-2-ylpiperidine-1-carboxylate
CID 171824675
methyl 3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
CID 91643444
methyl (3S)-3-(2-methylpropylsulfonylamino)pyrrolidine-1-carboxylate
CID 99811858
propan-2-yl 3-(methylamino)pyrrolidine-1-carboxylate
CID 115300213
(3S)-3-(butan-2-ylamino)pyrrolidine-1-carboxylic acid
CID 68918962
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate (CID 115891993) is methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate is CCC(C)C(C)NC1CCN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate?
The InChIKey is WCERZSLXSKVVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-9(2)10(3)13-11-6-7-14(8-11)12(15)16-4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate?
methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methylpentan-2-ylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 115891993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).