ethyl 2-(pentylamino)acetate

C9H19NO2 — CID 10035079

IUPACethyl 2-(pentylamino)acetate
SMILESCCCCCNCC(=O)OCC
InChIInChI=1S/C9H19NO2/c1-3-5-6-7-10-8-9(11)12-4-2/h10H,3-8H2,1-2H3
InChIKeyKWTVXRPHUGEBNS-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds7

About ethyl 2-(pentylamino)acetate

ethyl 2-(pentylamino)acetate (PubChem CID 10035079) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethyl 2-(pentylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(pentylamino)acetate
PubChem CID10035079
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethyl 2-(pentylamino)acetate
SMILESCCCCCNCC(=O)OCC
InChIInChI=1S/C9H19NO2/c1-3-5-6-7-10-8-9(11)12-4-2/h10H,3-8H2,1-2H3
InChIKeyKWTVXRPHUGEBNS-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pentylamino)acetate?
The IUPAC name of ethyl 2-(pentylamino)acetate (CID 10035079) is ethyl 2-(pentylamino)acetate.
What is the SMILES notation for ethyl 2-(pentylamino)acetate?
The canonical SMILES for ethyl 2-(pentylamino)acetate is CCCCCNCC(=O)OCC.
What is the InChIKey of ethyl 2-(pentylamino)acetate?
The InChIKey is KWTVXRPHUGEBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-5-6-7-10-8-9(11)12-4-2/h10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(pentylamino)acetate?
ethyl 2-(pentylamino)acetate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pentylamino)acetate is sourced from PubChem (CID 10035079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).