methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate

C10H19NO3 — CID 99955390

IUPACmethyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate
SMILESCOC(=O)[C@H](N)[C@H]1CCC[C@H](OC)C1
InChIInChI=1S/C10H19NO3/c1-13-8-5-3-4-7(6-8)9(11)10(12)14-2/h7-9H,3-6,11H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyCDLZCXGMABRRCJ-XHNCKOQMSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds3

About methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate

methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate (PubChem CID 99955390) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate
PubChem CID99955390
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate
SMILESCOC(=O)[C@H](N)[C@H]1CCC[C@H](OC)C1
InChIInChI=1S/C10H19NO3/c1-13-8-5-3-4-7(6-8)9(11)10(12)14-2/h7-9H,3-6,11H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyCDLZCXGMABRRCJ-XHNCKOQMSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate
CID 95298268
2-(3-methoxycyclohexyl)propanoic acid
CID 79418099
(2R)-2-amino-N-(3-methoxycyclohexyl)propanamide;hydrochloride
CID 131042164
N-[(1R,3R)-3-methoxycyclohexyl]-2-methylpropanamide
CID 139373494
2-fluoro-2-(3-methoxycyclohexyl)acetic acid
CID 106873222
(3-methoxycyclohexyl) 2-methylbutanoate
CID 78842013
methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912
methyl (2S)-2-cyclobutyloxypropanoate
CID 103337973
2-(3-methoxycyclohexyl)pentan-3-ol
CID 79436910
dimethyl 2-cyclohexylpropanedioate
CID 2793740
methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793
1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea
CID 99830189

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate?
The IUPAC name of methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate (CID 99955390) is methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate?
The canonical SMILES for methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate is COC(=O)[C@H](N)[C@H]1CCC[C@H](OC)C1.
What is the InChIKey of methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate?
The InChIKey is CDLZCXGMABRRCJ-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H19NO3/c1-13-8-5-3-4-7(6-8)9(11)10(12)14-2/h7-9H,3-6,11H2,1-2H3/t7-,8-,9+/m0/s1.
What are the key properties of methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate?
methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-[(1S,3S)-3-methoxycyclohexyl]acetate is sourced from PubChem (CID 99955390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).