(2-oxopentadecylamino) acetate

C17H33NO3 — CID 22930881

IUPAC(2-oxopentadecylamino) acetate
SMILESCCCCCCCCCCCCCC(=O)CNOC(C)=O
InChIInChI=1S/C17H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-18-21-16(2)19/h18H,3-15H2,1-2H3
InChIKeyDHHPUYDUGJKOTR-UHFFFAOYSA-N
MW299.45 g/mol
LogP4.32
Rot. Bonds15

About (2-oxopentadecylamino) acetate

(2-oxopentadecylamino) acetate (PubChem CID 22930881) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is (2-oxopentadecylamino) acetate.

Molecular Properties

Compound Name(2-oxopentadecylamino) acetate
PubChem CID22930881
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name(2-oxopentadecylamino) acetate
SMILESCCCCCCCCCCCCCC(=O)CNOC(C)=O
InChIInChI=1S/C17H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-18-21-16(2)19/h18H,3-15H2,1-2H3
InChIKeyDHHPUYDUGJKOTR-UHFFFAOYSA-N
XLogP4.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(pentylamino) acetate
CID 87721742
calcium;hydride;(octadecylamino) acetate
CID 174640254
heptacosane-10,12-dione
CID 14235516
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonatriacontane-8,29-dione
CID 150237018
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
pentadecane-2,4-dione
CID 529775
1-(tert-butylamino)nonan-2-one
CID 116588806

Frequently Asked Questions

What is the IUPAC name of (2-oxopentadecylamino) acetate?
The IUPAC name of (2-oxopentadecylamino) acetate (CID 22930881) is (2-oxopentadecylamino) acetate.
What is the SMILES notation for (2-oxopentadecylamino) acetate?
The canonical SMILES for (2-oxopentadecylamino) acetate is CCCCCCCCCCCCCC(=O)CNOC(C)=O.
What is the InChIKey of (2-oxopentadecylamino) acetate?
The InChIKey is DHHPUYDUGJKOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-18-21-16(2)19/h18H,3-15H2,1-2H3.
What are the key properties of (2-oxopentadecylamino) acetate?
(2-oxopentadecylamino) acetate has a molecular weight of 299.45 g/mol, XLogP of 4.32, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopentadecylamino) acetate is sourced from PubChem (CID 22930881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).