methyl 2-[(2-ethoxyacetyl)amino]hexanoate

C11H21NO4 — CID 156704920

IUPACmethyl 2-[(2-ethoxyacetyl)amino]hexanoate
SMILESCCCCC(NC(=O)COCC)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-4-6-7-9(11(14)15-3)12-10(13)8-16-5-2/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyJDSBLYINNLULKC-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.87
Rot. Bonds8

About methyl 2-[(2-ethoxyacetyl)amino]hexanoate

methyl 2-[(2-ethoxyacetyl)amino]hexanoate (PubChem CID 156704920) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 2-[(2-ethoxyacetyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethoxyacetyl)amino]hexanoate
PubChem CID156704920
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 2-[(2-ethoxyacetyl)amino]hexanoate
SMILESCCCCC(NC(=O)COCC)C(=O)OC
InChIInChI=1S/C11H21NO4/c1-4-6-7-9(11(14)15-3)12-10(13)8-16-5-2/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyJDSBLYINNLULKC-UHFFFAOYSA-N
XLogP0.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-3-[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-5-oxopentanoic acid
CID 135210774
ethyl 2-(methoxycarbonylamino)hexanoate
CID 91718664
methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate
CID 104701957
methyl 2-acetamidooctanoate
CID 6429509
2-[[2-[[(2S)-1-methoxy-1-oxohexan-2-yl]amino]-2-oxoethyl]-[[(2S)-1-methoxy-1-oxohexan-2-yl]carbamoyl]amino]acetic acid
CID 135210925
methyl 6-amino-2-(tridecanoylamino)hexanoate
CID 19368986
methyl (2S)-6-amino-2-(icosanoylamino)hexanoate
CID 139764114
methyl (2S)-6-amino-2-(hexanoylamino)hexanoate;hydrochloride
CID 139747239
methyl (2S)-5-(diaminomethylideneamino)-2-(tridecanoylamino)pentanoate
CID 101199795
methyl 2,6-bis(hexanoylamino)hexanoate
CID 102032738
2-[[2-(2-propoxyethoxy)acetyl]amino]heptanamide
CID 147884881
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethoxyacetyl)amino]hexanoate?
The IUPAC name of methyl 2-[(2-ethoxyacetyl)amino]hexanoate (CID 156704920) is methyl 2-[(2-ethoxyacetyl)amino]hexanoate.
What is the SMILES notation for methyl 2-[(2-ethoxyacetyl)amino]hexanoate?
The canonical SMILES for methyl 2-[(2-ethoxyacetyl)amino]hexanoate is CCCCC(NC(=O)COCC)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethoxyacetyl)amino]hexanoate?
The InChIKey is JDSBLYINNLULKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-6-7-9(11(14)15-3)12-10(13)8-16-5-2/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-[(2-ethoxyacetyl)amino]hexanoate?
methyl 2-[(2-ethoxyacetyl)amino]hexanoate has a molecular weight of 231.29 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethoxyacetyl)amino]hexanoate is sourced from PubChem (CID 156704920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).