methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate

C14H26N2O3 — CID 106980384

IUPACmethyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)C1(C(C)C)CCNC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-9(2)11(12(17)19-5)16-13(18)14(10(3)4)6-7-15-8-14/h9-11,15H,6-8H2,1-5H3,(H,16,18)
InChIKeyZMHMYPWBNXYRFO-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.94
Rot. Bonds5

About methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate

methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate (PubChem CID 106980384) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate
PubChem CID106980384
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate
SMILESCOC(=O)C(NC(=O)C1(C(C)C)CCNC1)C(C)C
InChIInChI=1S/C14H26N2O3/c1-9(2)11(12(17)19-5)16-13(18)14(10(3)4)6-7-15-8-14/h9-11,15H,6-8H2,1-5H3,(H,16,18)
InChIKeyZMHMYPWBNXYRFO-UHFFFAOYSA-N
XLogP0.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate with MolForge

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Related Compounds

3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980275
(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980329
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
N-(4-hydroxy-3-methylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981266
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979756
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 106980598
(2R)-4-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980494
N-(1-methylcyclobutyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981268
5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980283
(2R)-5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107830415

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate (CID 106980384) is methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate is COC(=O)C(NC(=O)C1(C(C)C)CCNC1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate?
The InChIKey is ZMHMYPWBNXYRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)11(12(17)19-5)16-13(18)14(10(3)4)6-7-15-8-14/h9-11,15H,6-8H2,1-5H3,(H,16,18).
What are the key properties of methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate?
methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate has a molecular weight of 270.37 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 106980384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).