ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C14H25NO4 — CID 134940533

IUPACethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESC=C(C(=O)OCC)[C@H](NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H25NO4/c1-8-18-12(16)10(4)11(9(2)3)15-13(17)19-14(5,6)7/h9,11H,4,8H2,1-3,5-7H3,(H,15,17)/t11-/m1/s1
InChIKeyUUZYGJHCYHBJJS-LLVKDONJSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds5

About ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 134940533) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Nameethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID134940533
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESC=C(C(=O)OCC)[C@H](NC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C14H25NO4/c1-8-18-12(16)10(4)11(9(2)3)15-13(17)19-14(5,6)7/h9,11H,4,8H2,1-3,5-7H3,(H,15,17)/t11-/m1/s1
InChIKeyUUZYGJHCYHBJJS-LLVKDONJSA-N
XLogP2.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 134940533) is ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is C=C(C(=O)OCC)[C@H](NC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is UUZYGJHCYHBJJS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25NO4/c1-8-18-12(16)10(4)11(9(2)3)15-13(17)19-14(5,6)7/h9,11H,4,8H2,1-3,5-7H3,(H,15,17)/t11-/m1/s1.
What are the key properties of ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 271.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-4-methyl-2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 134940533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).