2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C14H25NO3 — CID 61071498

IUPAC2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)CN(C)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-11(2)10-15(3)12(16)8-14(9-13(17)18)6-4-5-7-14/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyOCHUFZIJXXTUOB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.53
Rot. Bonds6

About 2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61071498) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61071498
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)CN(C)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H25NO3/c1-11(2)10-15(3)12(16)8-14(9-13(17)18)6-4-5-7-14/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyOCHUFZIJXXTUOB-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071684
2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804931
2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071131
2-[1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 63879965
2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804995
2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61432230
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915392
2-[1-[2-(N-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61070370
2-[1-[2-[furan-3-ylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61422945
2-[1-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071318
2-[1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60661834
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61071498) is 2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CC(C)CN(C)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is OCHUFZIJXXTUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(2)10-15(3)12(16)8-14(9-13(17)18)6-4-5-7-14/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61071498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).