2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

C15H28N2O4 — CID 106142333

IUPAC2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(C)CC(C)(O)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H28N2O4/c1-14(21,11-17(2)3)10-16-12(18)8-15(9-13(19)20)6-4-5-7-15/h21H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyZIUBAWWLQKDZQP-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.84
Rot. Bonds8

About 2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 106142333) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID106142333
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(C)CC(C)(O)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H28N2O4/c1-14(21,11-17(2)3)10-16-12(18)8-15(9-13(19)20)6-4-5-7-15/h21H,4-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyZIUBAWWLQKDZQP-UHFFFAOYSA-N
XLogP0.84
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(2,3-dihydroxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 66184848
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-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 166244346
2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61069840
2-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 61071713
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861
2-[1-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62641050
2-[1-[2-[3-[methyl(propan-2-yl)amino]propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032490
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 106142333) is 2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is CN(C)CC(C)(O)CNC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is ZIUBAWWLQKDZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(21,11-17(2)3)10-16-12(18)8-15(9-13(19)20)6-4-5-7-15/h21H,4-11H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 300.40 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 106142333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).