pentyl 2-(ethoxycarbonylamino)propanoate

C11H21NO4 — CID 6422307

IUPACpentyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C11H21NO4/c1-4-6-7-8-16-10(13)9(3)12-11(14)15-5-2/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyZKVSNJAWCFKQHT-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.85
Rot. Bonds7

About pentyl 2-(ethoxycarbonylamino)propanoate

pentyl 2-(ethoxycarbonylamino)propanoate (PubChem CID 6422307) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is pentyl 2-(ethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namepentyl 2-(ethoxycarbonylamino)propanoate
PubChem CID6422307
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namepentyl 2-(ethoxycarbonylamino)propanoate
SMILESCCCCCOC(=O)C(C)NC(=O)OCC
InChIInChI=1S/C11H21NO4/c1-4-6-7-8-16-10(13)9(3)12-11(14)15-5-2/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyZKVSNJAWCFKQHT-UHFFFAOYSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.85
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 pentyl 2-(ethoxycarbonylamino)propanoate?
The IUPAC name of pentyl 2-(ethoxycarbonylamino)propanoate (CID 6422307) is pentyl 2-(ethoxycarbonylamino)propanoate.
What is the SMILES notation for pentyl 2-(ethoxycarbonylamino)propanoate?
The canonical SMILES for pentyl 2-(ethoxycarbonylamino)propanoate is CCCCCOC(=O)C(C)NC(=O)OCC.
What is the InChIKey of pentyl 2-(ethoxycarbonylamino)propanoate?
The InChIKey is ZKVSNJAWCFKQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-6-7-8-16-10(13)9(3)12-11(14)15-5-2/h9H,4-8H2,1-3H3,(H,12,14).
What are the key properties of pentyl 2-(ethoxycarbonylamino)propanoate?
pentyl 2-(ethoxycarbonylamino)propanoate has a molecular weight of 231.29 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-(ethoxycarbonylamino)propanoate is sourced from PubChem (CID 6422307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).