methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate

C15H29NO3 — CID 101048674

IUPACmethyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate
SMILESCOC[C@@H](N[C@@H](C(=O)OC)C1CCCCC1)C(C)C
InChIInChI=1S/C15H29NO3/c1-11(2)13(10-18-3)16-14(15(17)19-4)12-8-6-5-7-9-12/h11-14,16H,5-10H2,1-4H3/t13-,14-/m1/s1
InChIKeyRBIMMXQVUDTBNF-ZIAGYGMSSA-N
MW271.40 g/mol
LogP2.37
Rot. Bonds7

About methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate

methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate (PubChem CID 101048674) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate
PubChem CID101048674
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate
SMILESCOC[C@@H](N[C@@H](C(=O)OC)C1CCCCC1)C(C)C
InChIInChI=1S/C15H29NO3/c1-11(2)13(10-18-3)16-14(15(17)19-4)12-8-6-5-7-9-12/h11-14,16H,5-10H2,1-4H3/t13-,14-/m1/s1
InChIKeyRBIMMXQVUDTBNF-ZIAGYGMSSA-N
XLogP2.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate with MolForge

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Related Compounds

methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
CID 106162253
2-(cyclopentylamino)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049389
methyl 2-bromo-2-cyclodecylacetate
CID 89276662
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetate
CID 70702377
N-(1-cyclohexyl-2-methoxyethyl)propan-2-amine
CID 83686426
propan-2-yl 2-cyclopentyl-3-methoxypropanoate
CID 139783286
CID 164806427
CID 164806427
2-(1-cyclopentylethylamino)-3-methoxypropanoic acid
CID 103251911
methyl 2-[[(1S)-1-cycloheptylethyl]amino]butanoate
CID 115353551
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate?
The IUPAC name of methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate (CID 101048674) is methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate.
What is the SMILES notation for methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate?
The canonical SMILES for methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate is COC[C@@H](N[C@@H](C(=O)OC)C1CCCCC1)C(C)C.
What is the InChIKey of methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate?
The InChIKey is RBIMMXQVUDTBNF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11(2)13(10-18-3)16-14(15(17)19-4)12-8-6-5-7-9-12/h11-14,16H,5-10H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate?
methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate has a molecular weight of 271.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyclohexyl-2-[[(2S)-1-methoxy-3-methylbutan-2-yl]amino]acetate is sourced from PubChem (CID 101048674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).