1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid

C10H17NO5S — CID 65045194

IUPAC1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid
SMILESCCN(C=O)C1(C(=O)O)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H17NO5S/c1-3-11(7-12)10(9(13)14)6-4-5-8(10)17(2,15)16/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyDCFNMHZZZUCNAP-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.11
Rot. Bonds5

About 1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid

1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid (PubChem CID 65045194) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid
PubChem CID65045194
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid
SMILESCCN(C=O)C1(C(=O)O)CCCC1S(C)(=O)=O
InChIInChI=1S/C10H17NO5S/c1-3-11(7-12)10(9(13)14)6-4-5-8(10)17(2,15)16/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyDCFNMHZZZUCNAP-UHFFFAOYSA-N
XLogP-0.11
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[acetyl(ethyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid
CID 65045086
3-[ethyl(formyl)amino]-2-methylthiane-3-carboxylic acid
CID 79952048
2-methylsulfonyl-1-(propylamino)cyclopentane-1-carboxylic acid
CID 65045017
1-[ethyl(formyl)amino]-4,4-dimethylcycloheptane-1-carboxylic acid
CID 65085716
1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid
CID 64513811
2-[2-methylsulfonyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233577
1-(1-aminobutan-2-yl)-2-methylsulfonylcyclopentan-1-ol
CID 79123466
methyl 2-(1-amino-2-methylsulfonylcyclopentyl)acetate
CID 79848202
1-[acetyl(ethyl)amino]-2,3-dimethylcyclohexane-1-carboxylic acid
CID 64755378
1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid
CID 63688884
1-(2-ethylbutyl)-2-methylsulfonylcyclopentan-1-ol
CID 82928391
1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 63688368

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid (CID 65045194) is 1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid is CCN(C=O)C1(C(=O)O)CCCC1S(C)(=O)=O.
What is the InChIKey of 1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid?
The InChIKey is DCFNMHZZZUCNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-3-11(7-12)10(9(13)14)6-4-5-8(10)17(2,15)16/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid?
1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 65045194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).