ethyl 2-formamido-3-methylpentanoate

C9H17NO3 — CID 575156

IUPACethyl 2-formamido-3-methylpentanoate
SMILESCCOC(=O)C(NC=O)C(C)CC
InChIInChI=1S/C9H17NO3/c1-4-7(3)8(10-6-11)9(12)13-5-2/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyNACMPIZARJXXSB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.71
Rot. Bonds6

About ethyl 2-formamido-3-methylpentanoate

ethyl 2-formamido-3-methylpentanoate (PubChem CID 575156) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-formamido-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-formamido-3-methylpentanoate
PubChem CID575156
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-formamido-3-methylpentanoate
SMILESCCOC(=O)C(NC=O)C(C)CC
InChIInChI=1S/C9H17NO3/c1-4-7(3)8(10-6-11)9(12)13-5-2/h6-8H,4-5H2,1-3H3,(H,10,11)
InChIKeyNACMPIZARJXXSB-UHFFFAOYSA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-formamido-3-methylpentanoate?
The IUPAC name of ethyl 2-formamido-3-methylpentanoate (CID 575156) is ethyl 2-formamido-3-methylpentanoate.
What is the SMILES notation for ethyl 2-formamido-3-methylpentanoate?
The canonical SMILES for ethyl 2-formamido-3-methylpentanoate is CCOC(=O)C(NC=O)C(C)CC.
What is the InChIKey of ethyl 2-formamido-3-methylpentanoate?
The InChIKey is NACMPIZARJXXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-7(3)8(10-6-11)9(12)13-5-2/h6-8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of ethyl 2-formamido-3-methylpentanoate?
ethyl 2-formamido-3-methylpentanoate has a molecular weight of 187.24 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamido-3-methylpentanoate is sourced from PubChem (CID 575156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).