1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid

C10H17NO3 — CID 64513811

IUPAC1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid
SMILESCCN(C=O)C1(C(=O)O)CCC(C)C1
InChIInChI=1S/C10H17NO3/c1-3-11(7-12)10(9(13)14)5-4-8(2)6-10/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyZAHWJXGCRHPSSY-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds4

About 1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid

1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid (PubChem CID 64513811) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid
PubChem CID64513811
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid
SMILESCCN(C=O)C1(C(=O)O)CCC(C)C1
InChIInChI=1S/C10H17NO3/c1-3-11(7-12)10(9(13)14)5-4-8(2)6-10/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyZAHWJXGCRHPSSY-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid (CID 64513811) is 1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid is CCN(C=O)C1(C(=O)O)CCC(C)C1.
What is the InChIKey of 1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid?
The InChIKey is ZAHWJXGCRHPSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-11(7-12)10(9(13)14)5-4-8(2)6-10/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid?
1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 64513811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).