(2-amino-4-oxotridecyl) acetate

C15H29NO3 — CID 161199425

IUPAC(2-amino-4-oxotridecyl) acetate
SMILESCCCCCCCCCC(=O)CC(N)COC(C)=O
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-15(18)11-14(16)12-19-13(2)17/h14H,3-12,16H2,1-2H3
InChIKeyWEYUMYLANXENAI-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.98
Rot. Bonds12

About (2-amino-4-oxotridecyl) acetate

(2-amino-4-oxotridecyl) acetate (PubChem CID 161199425) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2-amino-4-oxotridecyl) acetate.

Molecular Properties

Compound Name(2-amino-4-oxotridecyl) acetate
PubChem CID161199425
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name(2-amino-4-oxotridecyl) acetate
SMILESCCCCCCCCCC(=O)CC(N)COC(C)=O
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-15(18)11-14(16)12-19-13(2)17/h14H,3-12,16H2,1-2H3
InChIKeyWEYUMYLANXENAI-UHFFFAOYSA-N
XLogP2.98
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.98
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

4-aminotridecan-6-one
CID 116607784
[(2R)-2-aminohexyl] acetate
CID 15691424
4-oxoundecan-2-yl acetate
CID 12807123
19-aminooctatriacontane-18,21-dione
CID 163964320
2-methylhexadecan-4-one
CID 63411798
1-acetyloxypropan-2-yl decanoate
CID 150997925
pentadecane-2,7-dione
CID 15360002
12-methylhenicosan-10-one
CID 71761778
5-methyltridecan-7-one
CID 71413449
ethyl acetate;octan-3-one
CID 138620784
(2S,3R)-2-amino-3-hydroxy-5-oxooctadecanoic acid
CID 174767583
ethyl 2-acetyl-4-oxononanoate
CID 175253586

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-oxotridecyl) acetate?
The IUPAC name of (2-amino-4-oxotridecyl) acetate (CID 161199425) is (2-amino-4-oxotridecyl) acetate.
What is the SMILES notation for (2-amino-4-oxotridecyl) acetate?
The canonical SMILES for (2-amino-4-oxotridecyl) acetate is CCCCCCCCCC(=O)CC(N)COC(C)=O.
What is the InChIKey of (2-amino-4-oxotridecyl) acetate?
The InChIKey is WEYUMYLANXENAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-15(18)11-14(16)12-19-13(2)17/h14H,3-12,16H2,1-2H3.
What are the key properties of (2-amino-4-oxotridecyl) acetate?
(2-amino-4-oxotridecyl) acetate has a molecular weight of 271.40 g/mol, XLogP of 2.98, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-oxotridecyl) acetate is sourced from PubChem (CID 161199425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).