2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid

C13H25NO2 — CID 65061861

IUPAC2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)C1CCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H25NO2/c1-5-14(13(3,4)12(15)16)10(2)11-8-6-7-9-11/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyYGSUUIZRSCCKDF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds5

About 2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid

2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 65061861) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID65061861
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)C1CCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C13H25NO2/c1-5-14(13(3,4)12(15)16)10(2)11-8-6-7-9-11/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyYGSUUIZRSCCKDF-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62820612
2-[ethyl(2-methylpentan-3-yl)amino]-2-methylpropanoic acid
CID 65061521
2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
CID 65019428
2-[ethyl-(4-methoxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
CID 65061573
2-[cyclohexylmethylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818726
2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 105360802
2-[(2,6-dimethylpiperidine-1-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 55123412
2-[(2-tert-butylcyclohexyl)-ethylamino]-2-methylpropanoic acid
CID 65061717
2-[1-cyclopentylethyl(methyl)amino]propanoic acid
CID 65060488
2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]-2-methylpropanoic acid
CID 62820971
2-[1-cyclopentylethyl(2-methylpropyl)amino]acetic acid
CID 65064339
4-cyclopentyl-4-(dimethylamino)-2,2-dimethylbutanoic acid
CID 116908334

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid (CID 65061861) is 2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid is CCN(C(C)C1CCCC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is YGSUUIZRSCCKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-14(13(3,4)12(15)16)10(2)11-8-6-7-9-11/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid?
2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65061861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).