methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate

C15H28N2O4 — CID 80703334

IUPACmethyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)CN1CCC(C)(O)CC1)C(=O)OC
InChIInChI=1S/C15H28N2O4/c1-5-11(2)13(14(19)21-4)16-12(18)10-17-8-6-15(3,20)7-9-17/h11,13,20H,5-10H2,1-4H3,(H,16,18)
InChIKeyVVZWJMOVDQPWAK-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.54
Rot. Bonds6

About methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate

methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate (PubChem CID 80703334) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate
PubChem CID80703334
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)CN1CCC(C)(O)CC1)C(=O)OC
InChIInChI=1S/C15H28N2O4/c1-5-11(2)13(14(19)21-4)16-12(18)10-17-8-6-15(3,20)7-9-17/h11,13,20H,5-10H2,1-4H3,(H,16,18)
InChIKeyVVZWJMOVDQPWAK-UHFFFAOYSA-N
XLogP0.54
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate with MolForge

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Related Compounds

methyl (2S,3S)-2-[[2-[4-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate
CID 31689500
methyl (2S,3R)-3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanoate
CID 8617314
methyl (2S,3S)-2-[[2-(4-benzoylpiperazin-1-yl)acetyl]amino]-3-methylpentanoate
CID 8597260
methyl (2S,3S)-2-[[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate
CID 8872122
methyl (2R,3S)-3-methyl-2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]pentanoate
CID 8687063
tert-butyl (2R,3S)-3-methyl-2-[[2-[16-[2-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]pentanoate
CID 99676610
N-butan-2-yl-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 113283097
methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate
CID 82756025
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
methyl (2R,3S)-2-[(4-acetylpiperazine-1-carbonyl)amino]-3-methylpentanoate
CID 92508435
methyl 2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoate
CID 62839439
N-heptan-2-yl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728598

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate (CID 80703334) is methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate is CCC(C)C(NC(=O)CN1CCC(C)(O)CC1)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate?
The InChIKey is VVZWJMOVDQPWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-11(2)13(14(19)21-4)16-12(18)10-17-8-6-15(3,20)7-9-17/h11,13,20H,5-10H2,1-4H3,(H,16,18).
What are the key properties of methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate?
methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate has a molecular weight of 300.40 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate is sourced from PubChem (CID 80703334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).