5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate

C10H19NO4 — CID 89267661

IUPAC5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
SMILESCCOC(=O)CCC(N)C(=O)OC(C)C
InChIInChI=1S/C10H19NO4/c1-4-14-9(12)6-5-8(11)10(13)15-7(2)3/h7-8H,4-6,11H2,1-3H3
InChIKeyHAVDZPAEROSNOT-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.61
Rot. Bonds6

About 5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate

5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate (PubChem CID 89267661) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate.

Molecular Properties

Compound Name5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
PubChem CID89267661
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
SMILESCCOC(=O)CCC(N)C(=O)OC(C)C
InChIInChI=1S/C10H19NO4/c1-4-14-9(12)6-5-8(11)10(13)15-7(2)3/h7-8H,4-6,11H2,1-3H3
InChIKeyHAVDZPAEROSNOT-UHFFFAOYSA-N
XLogP0.61
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride
CID 91975022
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium
CID 175609456
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
diethyl (2S)-2-methylpentanedioate
CID 89120789
dibutan-2-yl (2S)-2-aminopentanedioate
CID 22826603
diethyl 2-(1-aminoethyl)pentanedioate
CID 166437194
disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride
CID 175609455
ethyl 4-amino-5-fluoropentanoate
CID 13477556
ethyl 5-amino-4-methyloctanoate
CID 174963331
diethyl 4-iodoheptanedioate
CID 102577942
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046

Frequently Asked Questions

What is the IUPAC name of 5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate?
The IUPAC name of 5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate (CID 89267661) is 5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate.
What is the SMILES notation for 5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate?
The canonical SMILES for 5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate is CCOC(=O)CCC(N)C(=O)OC(C)C.
What is the InChIKey of 5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate?
The InChIKey is HAVDZPAEROSNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-14-9(12)6-5-8(11)10(13)15-7(2)3/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate?
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate has a molecular weight of 217.26 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate is sourced from PubChem (CID 89267661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).