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

C14H25NO4 — CID 115696833

IUPAC2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCOC(C)(C)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H25NO4/c1-13(2,19-3)10-15-11(16)8-14(9-12(17)18)6-4-5-7-14/h4-10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKLDVVZPWQSSVFV-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds7

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

2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 115696833) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID115696833
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCOC(C)(C)CNC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H25NO4/c1-13(2,19-3)10-15-11(16)8-14(9-12(17)18)6-4-5-7-14/h4-10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKLDVVZPWQSSVFV-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid with MolForge

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Related Compounds

2-(1-aminocyclohexyl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 113450228
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
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-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 60941962
2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106142333
1-hydroxy-N-(2-methoxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 111485529
2-[1-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 107846666
2-[1-(methoxymethyl)cyclohexyl]acetic acid
CID 115017080
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
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 115696833) is 2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is COC(C)(C)CNC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is KLDVVZPWQSSVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,19-3)10-15-11(16)8-14(9-12(17)18)6-4-5-7-14/h4-10H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 115696833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).