(3S)-3-aminoundecane-2,9-dione

C11H21NO2 — CID 148839673

IUPAC(3S)-3-aminoundecane-2,9-dione
SMILESCCC(=O)CCCCC[C@H](N)C(C)=O
InChIInChI=1S/C11H21NO2/c1-3-10(14)7-5-4-6-8-11(12)9(2)13/h11H,3-8,12H2,1-2H3/t11-/m0/s1
InChIKeyOVHKICZDQTZDLC-NSHDSACASA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds8

About (3S)-3-aminoundecane-2,9-dione

(3S)-3-aminoundecane-2,9-dione (PubChem CID 148839673) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3S)-3-aminoundecane-2,9-dione.

Molecular Properties

Compound Name(3S)-3-aminoundecane-2,9-dione
PubChem CID148839673
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3S)-3-aminoundecane-2,9-dione
SMILESCCC(=O)CCCCC[C@H](N)C(C)=O
InChIInChI=1S/C11H21NO2/c1-3-10(14)7-5-4-6-8-11(12)9(2)13/h11H,3-8,12H2,1-2H3/t11-/m0/s1
InChIKeyOVHKICZDQTZDLC-NSHDSACASA-N
XLogP1.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-10-oxododecanoate
CID 170309196
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
3-aminooctan-2-one;hydrochloride
CID 13478908
methane;undecane-3,9-dione
CID 158816586
9-sulfanylundecan-3-one
CID 91415833
pentadecane-2,13-dione
CID 58143587
3,7-diaminoheptan-2-one;dihydrochloride
CID 12769839
(3R)-3-aminoheptane-2,5-dione
CID 157124748
14-aminotetradecan-3-one
CID 178176766
pentadecane-2,7,13-trione
CID 154620463
10,10-diaminodecan-5-one
CID 87142350
1-hydroxydodecane-2,10-dione
CID 158814981

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminoundecane-2,9-dione?
The IUPAC name of (3S)-3-aminoundecane-2,9-dione (CID 148839673) is (3S)-3-aminoundecane-2,9-dione.
What is the SMILES notation for (3S)-3-aminoundecane-2,9-dione?
The canonical SMILES for (3S)-3-aminoundecane-2,9-dione is CCC(=O)CCCCC[C@H](N)C(C)=O.
What is the InChIKey of (3S)-3-aminoundecane-2,9-dione?
The InChIKey is OVHKICZDQTZDLC-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10(14)7-5-4-6-8-11(12)9(2)13/h11H,3-8,12H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-aminoundecane-2,9-dione?
(3S)-3-aminoundecane-2,9-dione has a molecular weight of 199.29 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminoundecane-2,9-dione is sourced from PubChem (CID 148839673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).