methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate

C13H24N2O3 — CID 104913149

IUPACmethyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)[C@@H]1CCCCN1)C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-4-9(2)11(13(17)18-3)15-12(16)10-7-5-6-8-14-10/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9?,10-,11?/m0/s1
InChIKeyFNRGTNZOHPSYQK-YVNMAJEFSA-N
MW256.35 g/mol
LogP0.83
Rot. Bonds5

About methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate

methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate (PubChem CID 104913149) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
PubChem CID104913149
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)[C@@H]1CCCCN1)C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-4-9(2)11(13(17)18-3)15-12(16)10-7-5-6-8-14-10/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9?,10-,11?/m0/s1
InChIKeyFNRGTNZOHPSYQK-YVNMAJEFSA-N
XLogP0.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate 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-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 119709028
N-(3-methylpentan-2-yl)azepane-2-carboxamide
CID 64564622
(2R)-N-(1-amino-3-methyl-1-oxobutan-2-yl)piperidine-2-carboxamide
CID 106344923
methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 68798809
methyl (2S)-2-(azepane-2-carbonylamino)-4-methylpentanoate
CID 103954871
methyl (2S,3R)-2-[[(1R,2R)-2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]carbamoyl]cyclopentanecarbonyl]amino]-3-methylpentanoate
CID 174067701
ethyl 2-(azepane-2-carbonylamino)propanoate
CID 64564630
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
methyl 2-[(2-aminocyclohexanecarbonyl)amino]-3-methylpentanoate
CID 64823561
methyl 3-[[(2R)-piperidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119695157
methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119274282

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate (CID 104913149) is methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate is CCC(C)C(NC(=O)[C@@H]1CCCCN1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate?
The InChIKey is FNRGTNZOHPSYQK-YVNMAJEFSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-9(2)11(13(17)18-3)15-12(16)10-7-5-6-8-14-10/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9?,10-,11?/m0/s1.
What are the key properties of methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate?
methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate has a molecular weight of 256.35 g/mol, XLogP of 0.83, 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-[[(2S)-piperidine-2-carbonyl]amino]pentanoate is sourced from PubChem (CID 104913149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).