methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate

C15H27NO4 — CID 59096126

IUPACmethyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate
SMILESCOC(=O)[C@H](CC1CCCCC1)NC(=O)COC(C)C
InChIInChI=1S/C15H27NO4/c1-11(2)20-10-14(17)16-13(15(18)19-3)9-12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyXMHHLBYSPUWVHG-ZDUSSCGKSA-N
MW285.38 g/mol
LogP2.04
Rot. Bonds7

About methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate

methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate (PubChem CID 59096126) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate
PubChem CID59096126
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate
SMILESCOC(=O)[C@H](CC1CCCCC1)NC(=O)COC(C)C
InChIInChI=1S/C15H27NO4/c1-11(2)20-10-14(17)16-13(15(18)19-3)9-12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyXMHHLBYSPUWVHG-ZDUSSCGKSA-N
XLogP2.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate?
The IUPAC name of methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate (CID 59096126) is methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate?
The canonical SMILES for methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate is COC(=O)[C@H](CC1CCCCC1)NC(=O)COC(C)C.
What is the InChIKey of methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate?
The InChIKey is XMHHLBYSPUWVHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27NO4/c1-11(2)20-10-14(17)16-13(15(18)19-3)9-12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate?
methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate has a molecular weight of 285.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-cyclohexyl-2-[(2-propan-2-yloxyacetyl)amino]propanoate is sourced from PubChem (CID 59096126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).