(7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid

C11H22N2O3 — CID 11333700

IUPAC(7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid
SMILESCC(C)[C@H](N)/C(CCCCCC(=O)O)=N/O
InChIInChI=1S/C11H22N2O3/c1-8(2)11(12)9(13-16)6-4-3-5-7-10(14)15/h8,11,16H,3-7,12H2,1-2H3,(H,14,15)/b13-9+/t11-/m0/s1
InChIKeyNDBUGKMWFJXNSV-GJSJWPQCSA-N
MW230.31 g/mol
LogP1.84
Rot. Bonds8

About (7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid

(7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid (PubChem CID 11333700) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid.

Molecular Properties

Compound Name(7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid
PubChem CID11333700
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid
SMILESCC(C)[C@H](N)/C(CCCCCC(=O)O)=N/O
InChIInChI=1S/C11H22N2O3/c1-8(2)11(12)9(13-16)6-4-3-5-7-10(14)15/h8,11,16H,3-7,12H2,1-2H3,(H,14,15)/b13-9+/t11-/m0/s1
InChIKeyNDBUGKMWFJXNSV-GJSJWPQCSA-N
XLogP1.84
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-aminobutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 87497053
10-aminoundecanoic acid
CID 3771397
14-aminopentadecanoic acid
CID 87306551
2-amino-3-methylbutanoic acid;butanedioic acid
CID 87123130
(8S)-8-amino-7-oxononanoic acid chloride
CID 91885982
ethane-1,1-diol;hexanedioic acid
CID 160553867
(6S)-6-aminoheptanoic acid
CID 54134193
methanol;tridecanedioic acid
CID 175511493
bis(butan-2-amine);decanedioic acid;ethane-1,2-diol
CID 175302378
(2S)-2-aminopropanoic acid;decanoic acid
CID 89052337
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of (7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid?
The IUPAC name of (7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid (CID 11333700) is (7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid.
What is the SMILES notation for (7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid?
The canonical SMILES for (7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid is CC(C)[C@H](N)/C(CCCCCC(=O)O)=N/O.
What is the InChIKey of (7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid?
The InChIKey is NDBUGKMWFJXNSV-GJSJWPQCSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)11(12)9(13-16)6-4-3-5-7-10(14)15/h8,11,16H,3-7,12H2,1-2H3,(H,14,15)/b13-9+/t11-/m0/s1.
What are the key properties of (7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid?
(7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid is sourced from PubChem (CID 11333700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).