methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate

C14H25NO4 — CID 56931245

IUPACmethyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate
SMILESCCCNC(=O)O[C@H](C(=O)OC)C1(C)CCCCC1
InChIInChI=1S/C14H25NO4/c1-4-10-15-13(17)19-11(12(16)18-3)14(2)8-6-5-7-9-14/h11H,4-10H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyJINDRKDBYXTCBP-LLVKDONJSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds5

About methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate

methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate (PubChem CID 56931245) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate
PubChem CID56931245
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate
SMILESCCCNC(=O)O[C@H](C(=O)OC)C1(C)CCCCC1
InChIInChI=1S/C14H25NO4/c1-4-10-15-13(17)19-11(12(16)18-3)14(2)8-6-5-7-9-14/h11H,4-10H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyJINDRKDBYXTCBP-LLVKDONJSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-(1-methylcycloheptyl)acetate
CID 130949608
dihydroxymethyl N-propylcarbamate
CID 174469308
ethyl 3-amino-2-(1-methylcyclohexyl)-3-oxopropanoate
CID 18694888
(1-methylcyclohexyl) N-[2-[(1-methylcyclohexyl)oxycarbonylamino]ethyl]carbamate
CID 59584170
propan-2-yl N-[(1-methylcyclopentyl)methyl]carbamate
CID 116656090
[(1S)-2-methyl-1-(propylcarbamoyloxy)propyl] 2-methylpropanoate
CID 173052886
ethyl N-propylcarbamate
CID 12199
silyl N-propylcarbamate
CID 174599243
methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
CID 19883848
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
CID 65051149
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
methyl (2R)-2-hydroxy-5-oxo-5-(propylamino)pentanoate
CID 170372518

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate?
The IUPAC name of methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate (CID 56931245) is methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate.
What is the SMILES notation for methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate?
The canonical SMILES for methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate is CCCNC(=O)O[C@H](C(=O)OC)C1(C)CCCCC1.
What is the InChIKey of methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate?
The InChIKey is JINDRKDBYXTCBP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-10-15-13(17)19-11(12(16)18-3)14(2)8-6-5-7-9-14/h11H,4-10H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate?
methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate has a molecular weight of 271.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(1-methylcyclohexyl)-2-(propylcarbamoyloxy)acetate is sourced from PubChem (CID 56931245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).