(2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid

C10H19NO3 — CID 167006530

IUPAC(2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid
SMILESCCN[C@@H](CCC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-11-8(10(13)14)5-6-9(12)7(2)3/h7-8,11H,4-6H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyGSRWZCLNOLROTO-QMMMGPOBSA-N
MW201.27 g/mol
LogP1.05
Rot. Bonds7

About (2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid

(2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid (PubChem CID 167006530) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid
PubChem CID167006530
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid
SMILESCCN[C@@H](CCC(=O)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-11-8(10(13)14)5-6-9(12)7(2)3/h7-8,11H,4-6H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyGSRWZCLNOLROTO-QMMMGPOBSA-N
XLogP1.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-6-methyl-5-oxoheptanamide
CID 174355389
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(propanoylamino)butanoyl]amino]butanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 146551121
N-[1-[(2,8-dimethyl-3,7-dioxononan-4-yl)amino]-6-methyl-1,5-dioxoheptan-4-yl]-4-(ethylamino)-6-methyl-5-oxoheptanamide
CID 126587157
2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid
CID 123367492
2-(ethylamino)hexanedioic acid
CID 88869975
(2S)-4-amino-2-(ethylamino)butanoic acid
CID 89433986
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(deuterioamino)butanoyl]amino]butanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 176616510
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(propan-2-ylamino)butanoyl]amino]butanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 176591283
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
(2S)-2-[[8-[[(1S)-1-carboxy-4-oxohexyl]amino]-8-oxooctanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 137425847
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid?
The IUPAC name of (2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid (CID 167006530) is (2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid.
What is the SMILES notation for (2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid?
The canonical SMILES for (2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid is CCN[C@@H](CCC(=O)C(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid?
The InChIKey is GSRWZCLNOLROTO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-11-8(10(13)14)5-6-9(12)7(2)3/h7-8,11H,4-6H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid?
(2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid is sourced from PubChem (CID 167006530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).