ethyl 4-(ethoxycarbonylamino)butanoate

C9H17NO4 — CID 14140662

IUPACethyl 4-(ethoxycarbonylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)OCC
InChIInChI=1S/C9H17NO4/c1-3-13-8(11)6-5-7-10-9(12)14-4-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyJRFPHUDKKRHKHX-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.08
Rot. Bonds6

About ethyl 4-(ethoxycarbonylamino)butanoate

ethyl 4-(ethoxycarbonylamino)butanoate (PubChem CID 14140662) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is ethyl 4-(ethoxycarbonylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(ethoxycarbonylamino)butanoate
PubChem CID14140662
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethyl 4-(ethoxycarbonylamino)butanoate
SMILESCCOC(=O)CCCNC(=O)OCC
InChIInChI=1S/C9H17NO4/c1-3-13-8(11)6-5-7-10-9(12)14-4-2/h3-7H2,1-2H3,(H,10,12)
InChIKeyJRFPHUDKKRHKHX-UHFFFAOYSA-N
XLogP1.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate
CID 91705286
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
ethyl N-(4-methylpent-4-enyl)carbamate
CID 123482675
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
ethyl 4-(pentanoylamino)butanoate
CID 60654722
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
ethyl N-(6-bromohexyl)carbamate
CID 87279639
ethyl 4-(2-chloropropanoylamino)butanoate
CID 64576746
ethyl 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 62734875
2-phenylethyl 4-(ethoxycarbonylamino)butanoate
CID 155528257
diethyl hexanedioate
CID 160747628
ethyl 4-[4-(methylamino)butanoylamino]butanoate;hydrochloride
CID 119726258

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethoxycarbonylamino)butanoate?
The IUPAC name of ethyl 4-(ethoxycarbonylamino)butanoate (CID 14140662) is ethyl 4-(ethoxycarbonylamino)butanoate.
What is the SMILES notation for ethyl 4-(ethoxycarbonylamino)butanoate?
The canonical SMILES for ethyl 4-(ethoxycarbonylamino)butanoate is CCOC(=O)CCCNC(=O)OCC.
What is the InChIKey of ethyl 4-(ethoxycarbonylamino)butanoate?
The InChIKey is JRFPHUDKKRHKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-13-8(11)6-5-7-10-9(12)14-4-2/h3-7H2,1-2H3,(H,10,12).
What are the key properties of ethyl 4-(ethoxycarbonylamino)butanoate?
ethyl 4-(ethoxycarbonylamino)butanoate has a molecular weight of 203.24 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethoxycarbonylamino)butanoate is sourced from PubChem (CID 14140662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).