2-amino-6-(ethylamino)-5-oxohexanoic acid

C8H16N2O3 — CID 11435396

IUPAC2-amino-6-(ethylamino)-5-oxohexanoic acid
SMILESCCNCC(=O)CCC(N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-2-10-5-6(11)3-4-7(9)8(12)13/h7,10H,2-5,9H2,1H3,(H,12,13)
InChIKeyCTQZWSMKPBTXMW-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.64
Rot. Bonds7

About 2-amino-6-(ethylamino)-5-oxohexanoic acid

2-amino-6-(ethylamino)-5-oxohexanoic acid (PubChem CID 11435396) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-6-(ethylamino)-5-oxohexanoic acid.

Molecular Properties

Compound Name2-amino-6-(ethylamino)-5-oxohexanoic acid
PubChem CID11435396
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-amino-6-(ethylamino)-5-oxohexanoic acid
SMILESCCNCC(=O)CCC(N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-2-10-5-6(11)3-4-7(9)8(12)13/h7,10H,2-5,9H2,1H3,(H,12,13)
InChIKeyCTQZWSMKPBTXMW-UHFFFAOYSA-N
XLogP-0.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-5-methylhexan-2-one
CID 116562437
(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
2-amino-5-(ethylamino)pentanoic acid
CID 4868762
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-amino-6-[(1-carboxy-2-sulfanylethyl)amino]-5-oxohexanoic acid
CID 118368268
(2S)-2-amino-6-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxohexanoic acid
CID 118368269
(2S)-2,6-diaminohexanoic acid;N-ethylethanamine
CID 89392490
(2R)-2,7-diamino-5-oxoheptanoic acid
CID 174747193
(2S)-2-amino-6-[[(1R)-1-carboxy-2-selanylethyl]amino]-5-oxohexanoic acid;(2R)-2-(methylamino)-3-selanylpropanoic acid
CID 173198421
2-aminopentanedioic acid
CID 611
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(ethylamino)-5-oxohexanoic acid?
The IUPAC name of 2-amino-6-(ethylamino)-5-oxohexanoic acid (CID 11435396) is 2-amino-6-(ethylamino)-5-oxohexanoic acid.
What is the SMILES notation for 2-amino-6-(ethylamino)-5-oxohexanoic acid?
The canonical SMILES for 2-amino-6-(ethylamino)-5-oxohexanoic acid is CCNCC(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-(ethylamino)-5-oxohexanoic acid?
The InChIKey is CTQZWSMKPBTXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-10-5-6(11)3-4-7(9)8(12)13/h7,10H,2-5,9H2,1H3,(H,12,13).
What are the key properties of 2-amino-6-(ethylamino)-5-oxohexanoic acid?
2-amino-6-(ethylamino)-5-oxohexanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(ethylamino)-5-oxohexanoic acid is sourced from PubChem (CID 11435396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).