methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate

C14H26N2O3 — CID 16682389

IUPACmethyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1C
InChIInChI=1S/C14H26N2O3/c1-10(2)9-12(13(17)19-4)15-14(18)16-8-6-5-7-11(16)3/h10-12H,5-9H2,1-4H3,(H,15,18)/t11?,12-/m0/s1
InChIKeyLTUZVNOSHALACP-KIYNQFGBSA-N
MW270.37 g/mol
LogP2.16
Rot. Bonds4

About methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate

methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate (PubChem CID 16682389) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate
PubChem CID16682389
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1C
InChIInChI=1S/C14H26N2O3/c1-10(2)9-12(13(17)19-4)15-14(18)16-8-6-5-7-11(16)3/h10-12H,5-9H2,1-4H3,(H,15,18)/t11?,12-/m0/s1
InChIKeyLTUZVNOSHALACP-KIYNQFGBSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61187523
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515
(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 61187712
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoate
CID 60687231
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 79005645
(2S)-2-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]-4-methylpentanoate
CID 6956248
(2R)-2-[(2-methylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909758
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
CID 939585
methyl 2-methyl-3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 60964706
methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
CID 531445

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate (CID 16682389) is methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate is COC(=O)[C@H](CC(C)C)NC(=O)N1CCCCC1C.
What is the InChIKey of methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate?
The InChIKey is LTUZVNOSHALACP-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)9-12(13(17)19-4)15-14(18)16-8-6-5-7-11(16)3/h10-12H,5-9H2,1-4H3,(H,15,18)/t11?,12-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate?
methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate has a molecular weight of 270.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate is sourced from PubChem (CID 16682389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).