(8S)-8-amino-7-oxononanoic acid chloride

C9H17ClNO3- — CID 91885982

IUPAC(8S)-8-amino-7-oxononanoic acid chloride
SMILESC[C@H](N)C(=O)CCCCCC(=O)O.[Cl-]
InChIInChI=1S/C9H17NO3.ClH/c1-7(10)8(11)5-3-2-4-6-9(12)13;/h7H,2-6,10H2,1H3,(H,12,13);1H/p-1/t7-;/m0./s1
InChIKeyZGPOLJARQCHVLY-FJXQXJEOSA-M
MW222.69 g/mol
LogP-2.06
Rot. Bonds7

About (8S)-8-amino-7-oxononanoic acid chloride

(8S)-8-amino-7-oxononanoic acid chloride (PubChem CID 91885982) has the molecular formula C9H17ClNO3- and a molecular weight of 222.69 g/mol. Its IUPAC name is (8S)-8-amino-7-oxononanoic acid chloride.

Molecular Properties

Compound Name(8S)-8-amino-7-oxononanoic acid chloride
PubChem CID91885982
Molecular FormulaC9H17ClNO3-
Molecular Weight222.69 g/mol
Exact Mass222.09
IUPAC Name(8S)-8-amino-7-oxononanoic acid chloride
SMILESC[C@H](N)C(=O)CCCCCC(=O)O.[Cl-]
InChIInChI=1S/C9H17NO3.ClH/c1-7(10)8(11)5-3-2-4-6-9(12)13;/h7H,2-6,10H2,1H3,(H,12,13);1H/p-1/t7-;/m0./s1
InChIKeyZGPOLJARQCHVLY-FJXQXJEOSA-M
XLogP-2.06
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.69
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6S)-6-amino-5-oxoheptanoic acid
CID 159323155
(2S)-2-aminopropanoic acid;decanoic acid
CID 89052337
10-aminoundecanoic acid
CID 3771397
14-aminopentadecanoic acid
CID 87306551
8-methyl-7-oxodecanoic acid
CID 121216549
(4S)-4-amino-5-oxohenicosanedioic acid
CID 90040978
2-amino-N-(9-amino-8-oxodecyl)propanamide
CID 159969834
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
tetradecanedioic acid
CID 13185

Frequently Asked Questions

What is the IUPAC name of (8S)-8-amino-7-oxononanoic acid chloride?
The IUPAC name of (8S)-8-amino-7-oxononanoic acid chloride (CID 91885982) is (8S)-8-amino-7-oxononanoic acid chloride.
What is the SMILES notation for (8S)-8-amino-7-oxononanoic acid chloride?
The canonical SMILES for (8S)-8-amino-7-oxononanoic acid chloride is C[C@H](N)C(=O)CCCCCC(=O)O.[Cl-].
What is the InChIKey of (8S)-8-amino-7-oxononanoic acid chloride?
The InChIKey is ZGPOLJARQCHVLY-FJXQXJEOSA-M. The full InChI is InChI=1S/C9H17NO3.ClH/c1-7(10)8(11)5-3-2-4-6-9(12)13;/h7H,2-6,10H2,1H3,(H,12,13);1H/p-1/t7-;/m0./s1.
What are the key properties of (8S)-8-amino-7-oxononanoic acid chloride?
(8S)-8-amino-7-oxononanoic acid chloride has a molecular weight of 222.69 g/mol, XLogP of -2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-amino-7-oxononanoic acid chloride is sourced from PubChem (CID 91885982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).