(2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid

C10H16N2O3 — CID 154502054

IUPAC(2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid
SMILESC=C=CC(=O)C(N)CCC[C@H](N)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-2-4-9(13)7(11)5-3-6-8(12)10(14)15/h4,7-8H,1,3,5-6,11-12H2,(H,14,15)/t7?,8-/m0/s1
InChIKeyRTGFDFIYXFCRGG-MQWKRIRWSA-N
MW212.25 g/mol
LogP-0.19
Rot. Bonds7

About (2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid

(2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid (PubChem CID 154502054) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid.

Molecular Properties

Compound Name(2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid
PubChem CID154502054
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid
SMILESC=C=CC(=O)C(N)CCC[C@H](N)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-2-4-9(13)7(11)5-3-6-8(12)10(14)15/h4,7-8H,1,3,5-6,11-12H2,(H,14,15)/t7?,8-/m0/s1
InChIKeyRTGFDFIYXFCRGG-MQWKRIRWSA-N
XLogP-0.19
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 865
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CID 6994849
(2R)-2-aminohept-6-enoic acid
CID 71352792
bis((2R)-2,5-diaminopentanoic acid);formaldehyde
CID 174922370
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-4-propa-1,2-dienylsulfanylbutanoic acid
CID 134197283
2-[amino-[(8S)-8-amino-8-carboxy-3-oxooct-1-en-4-yl]amino]propanedioic acid;hydrate
CID 174796115
2-amino-7-sulfanylheptanoic acid
CID 56957911
(2S)-2-amino-6-oxo-6-prop-2-enoxyhexanoic acid
CID 71377128
buta-1,3-diene;2,6-diaminohexanoic acid
CID 167473831
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid?
The IUPAC name of (2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid (CID 154502054) is (2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid.
What is the SMILES notation for (2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid?
The canonical SMILES for (2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid is C=C=CC(=O)C(N)CCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid?
The InChIKey is RTGFDFIYXFCRGG-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-4-9(13)7(11)5-3-6-8(12)10(14)15/h4,7-8H,1,3,5-6,11-12H2,(H,14,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid?
(2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid has a molecular weight of 212.25 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-7-oxodeca-8,9-dienoic acid is sourced from PubChem (CID 154502054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).