methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate

C10H19NO3 — CID 143700706

IUPACmethyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)C(N)C1CCCCC1
InChIInChI=1S/C10H19NO3/c1-14-10(13)9(12)8(11)7-5-3-2-4-6-7/h7-9,12H,2-6,11H2,1H3/t8?,9-/m1/s1
InChIKeyFWXHXKZYCTVWPB-YGPZHTELSA-N
MW201.27 g/mol
LogP0.43
Rot. Bonds3

About methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate

methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate (PubChem CID 143700706) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
PubChem CID143700706
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
SMILESCOC(=O)[C@H](O)C(N)C1CCCCC1
InChIInChI=1S/C10H19NO3/c1-14-10(13)9(12)8(11)7-5-3-2-4-6-7/h7-9,12H,2-6,11H2,1H3/t8?,9-/m1/s1
InChIKeyFWXHXKZYCTVWPB-YGPZHTELSA-N
XLogP0.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 134952784
methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 122389974
methyl 2-bromo-2-cyclodecylacetate
CID 89276662
1,3-diamino-1,3-dicyclohexylpropan-2-ol
CID 140971393
methyl 2-cyclopentyl-3-sulfanylpropanoate
CID 117245914
2-cyclopentyl-3-methoxy-3-oxopropanoic acid
CID 103973424
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetate
CID 70702377
3-amino-3-cyclohexyl-2-(methylamino)propanoic acid
CID 116946961
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate?
The IUPAC name of methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate (CID 143700706) is methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate?
The canonical SMILES for methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate is COC(=O)[C@H](O)C(N)C1CCCCC1.
What is the InChIKey of methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate?
The InChIKey is FWXHXKZYCTVWPB-YGPZHTELSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-10(13)9(12)8(11)7-5-3-2-4-6-7/h7-9,12H,2-6,11H2,1H3/t8?,9-/m1/s1.
What are the key properties of methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate?
methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate has a molecular weight of 201.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate is sourced from PubChem (CID 143700706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).