methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate

C12H22N2O3 — CID 14278857

IUPACmethyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
SMILESCCC(C)C(NC(=O)C1CCCN1)C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-4-8(2)10(12(16)17-3)14-11(15)9-6-5-7-13-9/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyVPZKCJWEBSKVFG-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.44
Rot. Bonds5

About methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate

methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate (PubChem CID 14278857) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
PubChem CID14278857
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
SMILESCCC(C)C(NC(=O)C1CCCN1)C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-4-8(2)10(12(16)17-3)14-11(15)9-6-5-7-13-9/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyVPZKCJWEBSKVFG-UHFFFAOYSA-N
XLogP0.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 104913149
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 119709028
methyl (2S,3R)-2-[[(1R,2R)-2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]cyclopentanecarbonyl]amino]-3-methylpentanoate
CID 174067701
methyl (2S,3S)-3-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoate;hydrochloride
CID 119748439
N-(3-methylpentan-2-yl)azepane-2-carboxamide
CID 64564622
(2S)-N-[(2S,3S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 123826258
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
CID 106344923
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
(2R)-N-(1,1-dimethoxypropan-2-yl)pyrrolidine-2-carboxamide
CID 104901176
(2S)-N-[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]pyrrolidine-2-carboxamide
CID 102282932

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate?
The IUPAC name of methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate (CID 14278857) is methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate.
What is the SMILES notation for methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate?
The canonical SMILES for methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate is CCC(C)C(NC(=O)C1CCCN1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate?
The InChIKey is VPZKCJWEBSKVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-8(2)10(12(16)17-3)14-11(15)9-6-5-7-13-9/h8-10,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate?
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate has a molecular weight of 242.32 g/mol, XLogP of 0.44, 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-(pyrrolidine-2-carbonylamino)pentanoate is sourced from PubChem (CID 14278857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).