ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate

C16H29NO3 — CID 11623347

IUPACethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H29NO3/c1-6-20-16(19)12(5)17-15(18)14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3,(H,17,18)/t11-,12-,13+,14-/m1/s1
InChIKeyKLOKSRAWLQVZFV-YIYPIFLZSA-N
MW283.41 g/mol
LogP2.76
Rot. Bonds5

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

ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate (PubChem CID 11623347) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
PubChem CID11623347
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nameethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C16H29NO3/c1-6-20-16(19)12(5)17-15(18)14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3,(H,17,18)/t11-,12-,13+,14-/m1/s1
InChIKeyKLOKSRAWLQVZFV-YIYPIFLZSA-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 ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate with MolForge

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Related Compounds

N-((Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide
CID 11615984
Ethyl N-((5-methyl-2-(isopropyl)cyclohexyl)carbonyl)glycinate
CID 11521869
ethyl N-[(4-methylcyclohexyl)carbonyl]isoleucylglycinate
CID 3245408
ethyl N-[(4-ethylcyclohexyl)carbonyl]valylalaninate
CID 3236211
l-Alanine, N-cyclohexylcarbonyl-, methyl ester
CID 558276
ST089299
CID 344675
Glycine, N-(((1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl)carbonyl)-, 1-methylethyl ester
CID 57378005
ethyl N-(cyclohexylcarbonyl)leucylglycinate
CID 9551490
cyclododecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171355633
cyclopentadecyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171355867
cyclopropyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171357287
N-(13-methyltetradecanoyl)alanine methyl ester (iso-C15:0-NAME)
CID 156581860

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate (CID 11623347) is ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate is CCOC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate?
The InChIKey is KLOKSRAWLQVZFV-YIYPIFLZSA-N. The full InChI is InChI=1S/C16H29NO3/c1-6-20-16(19)12(5)17-15(18)14-9-11(4)7-8-13(14)10(2)3/h10-14H,6-9H2,1-5H3,(H,17,18)/t11-,12-,13+,14-/m1/s1.
What are the key properties of ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate?
ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate 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 ethyl (2R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate is sourced from PubChem (CID 11623347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).