2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid

C10H17NO3 — CID 63689813

IUPAC2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)C1CCCC1
InChIInChI=1S/C10H17NO3/c1-2-11(7-12)9(10(13)14)8-5-3-4-6-8/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyMLTXYBBQRHRILQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds5

About 2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid

2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid (PubChem CID 63689813) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid
PubChem CID63689813
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid
SMILESCCN(C=O)C(C(=O)O)C1CCCC1
InChIInChI=1S/C10H17NO3/c1-2-11(7-12)9(10(13)14)8-5-3-4-6-8/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyMLTXYBBQRHRILQ-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid?
The IUPAC name of 2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid (CID 63689813) is 2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid is CCN(C=O)C(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid?
The InChIKey is MLTXYBBQRHRILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-11(7-12)9(10(13)14)8-5-3-4-6-8/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid?
2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid is sourced from PubChem (CID 63689813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).