methyl 2-amino-10-oxododecanoate

C13H25NO3 — CID 170309196

IUPACmethyl 2-amino-10-oxododecanoate
SMILESCCC(=O)CCCCCCCC(N)C(=O)OC
InChIInChI=1S/C13H25NO3/c1-3-11(15)9-7-5-4-6-8-10-12(14)13(16)17-2/h12H,3-10,14H2,1-2H3
InChIKeyBOJMAYGTBLNYTQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.20
Rot. Bonds10

About methyl 2-amino-10-oxododecanoate

methyl 2-amino-10-oxododecanoate (PubChem CID 170309196) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-amino-10-oxododecanoate.

Molecular Properties

Compound Namemethyl 2-amino-10-oxododecanoate
PubChem CID170309196
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 2-amino-10-oxododecanoate
SMILESCCC(=O)CCCCCCCC(N)C(=O)OC
InChIInChI=1S/C13H25NO3/c1-3-11(15)9-7-5-4-6-8-10-12(14)13(16)17-2/h12H,3-10,14H2,1-2H3
InChIKeyBOJMAYGTBLNYTQ-UHFFFAOYSA-N
XLogP2.20
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-aminoundecane-2,9-dione
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methyl 2-aminoheptadecanoate
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methyl (2S)-2-aminohexanoate
CID 7018840
1-O-methyl 5-O-tetradecanoyl 2-aminopentanedioate
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methyl (2S)-2,6-diamino-7-oxoicosanoate
CID 163979090
methyl 2-amino-9-methyl-6-oxodecanoate
CID 20715302
methyl (2R)-2-amino-6-hydroxyhexanoate
CID 129365766
5-O-hexanoyl 1-O-methyl (2S)-2-aminopentanedioate
CID 135151670
methyl (Z)-2-aminooctadec-9-enoate
CID 160622893
methyl 2,7-diamino-7-iminoheptanoate
CID 58214559

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-10-oxododecanoate?
The IUPAC name of methyl 2-amino-10-oxododecanoate (CID 170309196) is methyl 2-amino-10-oxododecanoate.
What is the SMILES notation for methyl 2-amino-10-oxododecanoate?
The canonical SMILES for methyl 2-amino-10-oxododecanoate is CCC(=O)CCCCCCCC(N)C(=O)OC.
What is the InChIKey of methyl 2-amino-10-oxododecanoate?
The InChIKey is BOJMAYGTBLNYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-11(15)9-7-5-4-6-8-10-12(14)13(16)17-2/h12H,3-10,14H2,1-2H3.
What are the key properties of methyl 2-amino-10-oxododecanoate?
methyl 2-amino-10-oxododecanoate has a molecular weight of 243.35 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-10-oxododecanoate is sourced from PubChem (CID 170309196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).