2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C15H27NO4 — CID 61246423

IUPAC2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)CC(CO)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H27NO4/c1-11(2)7-12(10-17)16-13(18)8-15(9-14(19)20)5-3-4-6-15/h11-12,17H,3-10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyCMNLPAJLUQOFIB-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.93
Rot. Bonds8

About 2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61246423) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61246423
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)CC(CO)NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H27NO4/c1-11(2)7-12(10-17)16-13(18)8-15(9-14(19)20)5-3-4-6-15/h11-12,17H,3-10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyCMNLPAJLUQOFIB-UHFFFAOYSA-N
XLogP1.93
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
2-[1-[2-oxo-2-(pentan-3-ylamino)ethyl]cyclohexyl]acetic acid
CID 43235012
2-(1-aminocyclobutyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 79853679
2-[1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60661834
2-[1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61464488
2-[1-[2-(3-ethylpentan-2-ylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 63842782
1-N,1-N'-bis(1-hydroxy-4-methylpentan-2-yl)cyclohexane-1,1-dicarboxamide
CID 23141188
2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
CID 61072069
2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 113485316
2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
2-[1-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]cyclopentyl]acetic acid
CID 60722581
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61246423) is 2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CC(C)CC(CO)NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is CMNLPAJLUQOFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-11(2)7-12(10-17)16-13(18)8-15(9-14(19)20)5-3-4-6-15/h11-12,17H,3-10H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 285.38 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61246423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).