ethyl 2-(propoxycarbonylamino)acetate

C8H15NO4 — CID 6422290

IUPACethyl 2-(propoxycarbonylamino)acetate
SMILESCCCOC(=O)NCC(=O)OCC
InChIInChI=1S/C8H15NO4/c1-3-5-13-8(11)9-6-7(10)12-4-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyRTFXVXNIZHYWRG-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.69
Rot. Bonds5

About ethyl 2-(propoxycarbonylamino)acetate

ethyl 2-(propoxycarbonylamino)acetate (PubChem CID 6422290) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is ethyl 2-(propoxycarbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(propoxycarbonylamino)acetate
PubChem CID6422290
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nameethyl 2-(propoxycarbonylamino)acetate
SMILESCCCOC(=O)NCC(=O)OCC
InChIInChI=1S/C8H15NO4/c1-3-5-13-8(11)9-6-7(10)12-4-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyRTFXVXNIZHYWRG-UHFFFAOYSA-N
XLogP0.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(2-methoxyethoxycarbonylamino)acetate
CID 91693785
hexyl 2-(ethoxycarbonylamino)acetate
CID 6421848
propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792
tridecyl 2-(ethoxycarbonylamino)acetate
CID 6421885
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
ethyl 2-[2-(hexadecanoylamino)ethoxycarbonylamino]acetate
CID 22560977
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
2-[2-[2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl-(2-oxopropyl)amino]ethyl 2-[[2-[bis[2-[2-[[2-[bis[2-[2-(propoxycarbonylamino)acetyl]oxyethyl]amino]acetyl]amino]acetyl]oxyethyl]amino]acetyl]amino]acetate
CID 58715719
propyl N-(methoxymethyl)carbamate
CID 142704391
4-methylpentyl 2-(butoxycarbonylamino)acetate
CID 6422769

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propoxycarbonylamino)acetate?
The IUPAC name of ethyl 2-(propoxycarbonylamino)acetate (CID 6422290) is ethyl 2-(propoxycarbonylamino)acetate.
What is the SMILES notation for ethyl 2-(propoxycarbonylamino)acetate?
The canonical SMILES for ethyl 2-(propoxycarbonylamino)acetate is CCCOC(=O)NCC(=O)OCC.
What is the InChIKey of ethyl 2-(propoxycarbonylamino)acetate?
The InChIKey is RTFXVXNIZHYWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-5-13-8(11)9-6-7(10)12-4-2/h3-6H2,1-2H3,(H,9,11).
What are the key properties of ethyl 2-(propoxycarbonylamino)acetate?
ethyl 2-(propoxycarbonylamino)acetate has a molecular weight of 189.21 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propoxycarbonylamino)acetate is sourced from PubChem (CID 6422290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).