nonyl 2-(methoxycarbonylamino)pentanoate

C16H31NO4 — CID 91714305

IUPACnonyl 2-(methoxycarbonylamino)pentanoate
SMILESCCCCCCCCCOC(=O)C(CCC)NC(=O)OC
InChIInChI=1S/C16H31NO4/c1-4-6-7-8-9-10-11-13-21-15(18)14(12-5-2)17-16(19)20-3/h14H,4-13H2,1-3H3,(H,17,19)
InChIKeyMDRGZXXXQZSGED-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.80
Rot. Bonds12

About nonyl 2-(methoxycarbonylamino)pentanoate

nonyl 2-(methoxycarbonylamino)pentanoate (PubChem CID 91714305) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is nonyl 2-(methoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namenonyl 2-(methoxycarbonylamino)pentanoate
PubChem CID91714305
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Namenonyl 2-(methoxycarbonylamino)pentanoate
SMILESCCCCCCCCCOC(=O)C(CCC)NC(=O)OC
InChIInChI=1S/C16H31NO4/c1-4-6-7-8-9-10-11-13-21-15(18)14(12-5-2)17-16(19)20-3/h14H,4-13H2,1-3H3,(H,17,19)
InChIKeyMDRGZXXXQZSGED-UHFFFAOYSA-N
XLogP3.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.80
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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Frequently Asked Questions

What is the IUPAC name of nonyl 2-(methoxycarbonylamino)pentanoate?
The IUPAC name of nonyl 2-(methoxycarbonylamino)pentanoate (CID 91714305) is nonyl 2-(methoxycarbonylamino)pentanoate.
What is the SMILES notation for nonyl 2-(methoxycarbonylamino)pentanoate?
The canonical SMILES for nonyl 2-(methoxycarbonylamino)pentanoate is CCCCCCCCCOC(=O)C(CCC)NC(=O)OC.
What is the InChIKey of nonyl 2-(methoxycarbonylamino)pentanoate?
The InChIKey is MDRGZXXXQZSGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-4-6-7-8-9-10-11-13-21-15(18)14(12-5-2)17-16(19)20-3/h14H,4-13H2,1-3H3,(H,17,19).
What are the key properties of nonyl 2-(methoxycarbonylamino)pentanoate?
nonyl 2-(methoxycarbonylamino)pentanoate has a molecular weight of 301.43 g/mol, XLogP of 3.80, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-(methoxycarbonylamino)pentanoate is sourced from PubChem (CID 91714305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).