(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride

C7H13ClNO4- — CID 91975022

IUPAC(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride
SMILESCCOC(=O)CC[C@H](N)C(=O)[O-].Cl
InChIInChI=1S/C7H13NO4.ClH/c1-2-12-6(9)4-3-5(8)7(10)11;/h5H,2-4,8H2,1H3,(H,10,11);1H/p-1/t5-;/m0./s1
InChIKeyJEDUWQDSBRHBIP-JEDNCBNOSA-M
MW210.64 g/mol
LogP-1.17
Rot. Bonds5

About (2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride

(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride (PubChem CID 91975022) has the molecular formula C7H13ClNO4- and a molecular weight of 210.64 g/mol. Its IUPAC name is (2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride
PubChem CID91975022
Molecular FormulaC7H13ClNO4-
Molecular Weight210.64 g/mol
Exact Mass210.05
IUPAC Name(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride
SMILESCCOC(=O)CC[C@H](N)C(=O)[O-].Cl
InChIInChI=1S/C7H13NO4.ClH/c1-2-12-6(9)4-3-5(8)7(10)11;/h5H,2-4,8H2,1H3,(H,10,11);1H/p-1/t5-;/m0./s1
InChIKeyJEDUWQDSBRHBIP-JEDNCBNOSA-M
XLogP-1.17
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
potassium (2S)-2-amino-5-octadecoxy-5-oxopentanoate
CID 174758136
bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium
CID 175609456
ethyl 4-amino-5-fluoropentanoate;hydrochloride
CID 105452534
disodium;bis[[(2S)-2-amino-5-ethoxy-5-oxopentanoyl]oxy]-oxophosphanium;hydride
CID 175609455
sodium (2R)-2-amino-5-oxo-5-tetradecanoyloxypentanoate
CID 87959337
ethyl 4-amino-5-fluoropentanoate
CID 13477556
diethyl 4-iodoheptanedioate
CID 102577942
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride?
The IUPAC name of (2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride (CID 91975022) is (2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride.
What is the SMILES notation for (2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride?
The canonical SMILES for (2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride is CCOC(=O)CC[C@H](N)C(=O)[O-].Cl.
What is the InChIKey of (2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride?
The InChIKey is JEDUWQDSBRHBIP-JEDNCBNOSA-M. The full InChI is InChI=1S/C7H13NO4.ClH/c1-2-12-6(9)4-3-5(8)7(10)11;/h5H,2-4,8H2,1H3,(H,10,11);1H/p-1/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride?
(2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride has a molecular weight of 210.64 g/mol, XLogP of -1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-ethoxy-5-oxopentanoate;hydrochloride is sourced from PubChem (CID 91975022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).