propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate

C16H29NO3 — CID 57378005

IUPACpropan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H29NO3/c1-10(2)13-7-6-12(5)8-14(13)16(19)17-9-15(18)20-11(3)4/h10-14H,6-9H2,1-5H3,(H,17,19)/t12-,13+,14-/m1/s1
InChIKeyWEHTUCYLMXHUMA-HZSPNIEDSA-N
MW283.41 g/mol
LogP2.76
Rot. Bonds5

About propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate

propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate (PubChem CID 57378005) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate
PubChem CID57378005
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namepropan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H29NO3/c1-10(2)13-7-6-12(5)8-14(13)16(19)17-9-15(18)20-11(3)4/h10-14H,6-9H2,1-5H3,(H,17,19)/t12-,13+,14-/m1/s1
InChIKeyWEHTUCYLMXHUMA-HZSPNIEDSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate with MolForge

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Related Compounds

Ethyl N-((5-methyl-2-(isopropyl)cyclohexyl)carbonyl)glycinate
CID 11521869
N-((Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide
CID 11615984
ethyl N-[(4-ethylcyclohexyl)carbonyl]valylalaninate
CID 3236211
ST089299
CID 344675
cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171355633
cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171355867
cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171357287
Ethyl N-(2-isopropylcycloheptanecarbonyl)glycinate
CID 91880
Propyl N-[[5-methyl-2-(isopropyl)cyclohexyl]carbonyl]glycinate
CID 56843152
1-fluorobutyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 69258052
Fluoro 2-[(5,5-dimethyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
CID 134223975
Ethyl 2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetate
CID 113225930

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate (CID 57378005) is propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate is CC(C)OC(=O)CNC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate?
The InChIKey is WEHTUCYLMXHUMA-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H29NO3/c1-10(2)13-7-6-12(5)8-14(13)16(19)17-9-15(18)20-11(3)4/h10-14H,6-9H2,1-5H3,(H,17,19)/t12-,13+,14-/m1/s1.
What are the key properties of propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate?
propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate has a molecular weight of 283.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]acetate is sourced from PubChem (CID 57378005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).