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

C10H19NO3 — CID 95298268

IUPACmethyl (2S)-2-amino-2-[(1R,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+/m1/s1
InChIKeyCDLZCXGMABRRCJ-VGMNWLOBSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds3

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

methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate (PubChem CID 95298268) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate
PubChem CID95298268
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (2S)-2-amino-2-[(1R,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+/m1/s1
InChIKeyCDLZCXGMABRRCJ-VGMNWLOBSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate?
The IUPAC name of methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate (CID 95298268) is methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate?
The canonical SMILES for methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate is COC(=O)[C@@H](N)[C@@H]1CCC[C@H](OC)C1.
What is the InChIKey of methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate?
The InChIKey is CDLZCXGMABRRCJ-VGMNWLOBSA-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+/m1/s1.
What are the key properties of methyl (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate?
methyl (2S)-2-amino-2-[(1R,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 (2S)-2-amino-2-[(1R,3S)-3-methoxycyclohexyl]acetate is sourced from PubChem (CID 95298268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).