methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate

C13H25NO2 — CID 129354214

IUPACmethyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CNCC1CCCCCC1
InChIInChI=1S/C13H25NO2/c1-11(13(15)16-2)9-14-10-12-7-5-3-4-6-8-12/h11-12,14H,3-10H2,1-2H3/t11-/m1/s1
InChIKeySEQSWYSSFZCQJC-LLVKDONJSA-N
MW227.35 g/mol
LogP2.36
Rot. Bonds5

About methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate

methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate (PubChem CID 129354214) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
PubChem CID129354214
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CNCC1CCCCCC1
InChIInChI=1S/C13H25NO2/c1-11(13(15)16-2)9-14-10-12-7-5-3-4-6-8-12/h11-12,14H,3-10H2,1-2H3/t11-/m1/s1
InChIKeySEQSWYSSFZCQJC-LLVKDONJSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107295831
3-(cyclohexylmethylamino)-2-(methylamino)propanoic acid
CID 115256149
1-N-(cyclopentylmethyl)propane-1,2-diamine
CID 115196604
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
4-O-(5-cyclohexyl-4-oxopentyl) 1-O-methyl 2-methylbutanedioate
CID 123785670
methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
CID 54880256
3-(cycloheptylmethylamino)-2-hydroxypropanamide
CID 106170462
2-chloro-N-(cyclopentylmethyl)propan-1-amine
CID 65024059
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
3-(2-cyclohexylethylamino)-2-methylpropanamide
CID 60920739
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
CID 93035087

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate (CID 129354214) is methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate is COC(=O)[C@H](C)CNCC1CCCCCC1.
What is the InChIKey of methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate?
The InChIKey is SEQSWYSSFZCQJC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(13(15)16-2)9-14-10-12-7-5-3-4-6-8-12/h11-12,14H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate?
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate has a molecular weight of 227.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate is sourced from PubChem (CID 129354214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).