2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C13H23NO5 — CID 66184848

IUPAC2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(O)(CO)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H23NO5/c1-12(19,9-15)8-14-10(16)6-13(7-11(17)18)4-2-3-5-13/h15,19H,2-9H2,1H3,(H,14,16)(H,17,18)
InChIKeyGOQZDPLLKJELMJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.27
Rot. Bonds7

About 2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 66184848) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID66184848
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(O)(CO)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H23NO5/c1-12(19,9-15)8-14-10(16)6-13(7-11(17)18)4-2-3-5-13/h15,19H,2-9H2,1H3,(H,14,16)(H,17,18)
InChIKeyGOQZDPLLKJELMJ-UHFFFAOYSA-N
XLogP0.27
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106142333
2-[1-[2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106275578
2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 115696833
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 107846666
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861
2-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61071713
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 115686502
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 66184848) is 2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CC(O)(CO)CNC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is GOQZDPLLKJELMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-12(19,9-15)8-14-10(16)6-13(7-11(17)18)4-2-3-5-13/h15,19H,2-9H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 0.27, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 66184848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).