methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate

C16H29NO4 — CID 18639568

IUPACmethyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29NO4/c1-10(2)13-7-6-11(3)8-14(13)21-9-15(18)17-12(4)16(19)20-5/h10-14H,6-9H2,1-5H3,(H,17,18)/t11?,12-,13?,14?/m0/s1
InChIKeyBEAKKDKSTJFPDW-UDXKHGJESA-N
MW299.41 g/mol
LogP2.14
Rot. Bonds6

About methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate

methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate (PubChem CID 18639568) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate
PubChem CID18639568
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namemethyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29NO4/c1-10(2)13-7-6-11(3)8-14(13)21-9-15(18)17-12(4)16(19)20-5/h10-14H,6-9H2,1-5H3,(H,17,18)/t11?,12-,13?,14?/m0/s1
InChIKeyBEAKKDKSTJFPDW-UDXKHGJESA-N
XLogP2.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate (CID 18639568) is methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)COC1CC(C)CCC1C(C)C.
What is the InChIKey of methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate?
The InChIKey is BEAKKDKSTJFPDW-UDXKHGJESA-N. The full InChI is InChI=1S/C16H29NO4/c1-10(2)13-7-6-11(3)8-14(13)21-9-15(18)17-12(4)16(19)20-5/h10-14H,6-9H2,1-5H3,(H,17,18)/t11?,12-,13?,14?/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate?
methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate has a molecular weight of 299.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoate is sourced from PubChem (CID 18639568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).