methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate

C13H24N2O3 — CID 68798809

IUPACmethyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C13H24N2O3/c1-9(2)8-11(13(17)18-3)15-12(16)10-6-4-5-7-14-10/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t10-,11-/m0/s1
InChIKeyNDRBVJRTPOGIKF-QWRGUYRKSA-N
MW256.35 g/mol
LogP0.83
Rot. Bonds5

About methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate

methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate (PubChem CID 68798809) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
PubChem CID68798809
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C13H24N2O3/c1-9(2)8-11(13(17)18-3)15-12(16)10-6-4-5-7-14-10/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t10-,11-/m0/s1
InChIKeyNDRBVJRTPOGIKF-QWRGUYRKSA-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

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Related Compounds

methyl (2S)-2-(azepane-2-carbonylamino)-4-methylpentanoate
CID 103954871
methyl 2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 119709028
(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61160577
methyl 3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate
CID 104913149
(2R)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 51387302
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)(15N)amino]-4-methyl-1-oxo(113C)pentan-2-yl]pyrrolidine-2-carboxamide
CID 10266003
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
N-(5-methylhexan-2-yl)piperidine-2-carboxamide
CID 43579330
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009
methyl 3-[[(2R)-piperidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119695157
methyl 3-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119274282
methyl 4-methyl-2-(piperidine-3-carbonylamino)pentanoate
CID 43704259

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate (CID 68798809) is methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate is COC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCCN1.
What is the InChIKey of methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate?
The InChIKey is NDRBVJRTPOGIKF-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)8-11(13(17)18-3)15-12(16)10-6-4-5-7-14-10/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t10-,11-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate?
methyl (2S)-4-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 (2S)-4-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoate is sourced from PubChem (CID 68798809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).