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

C16H30N2O3 — CID 61069840

IUPAC2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)C(CNC(=O)CC1(CC(=O)O)CCCC1)N(C)C
InChIInChI=1S/C16H30N2O3/c1-12(2)13(18(3)4)11-17-14(19)9-16(10-15(20)21)7-5-6-8-16/h12-13H,5-11H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyODYVGEDSKUVUDX-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.11
Rot. Bonds8

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

2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61069840) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61069840
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC(C)C(CNC(=O)CC1(CC(=O)O)CCCC1)N(C)C
InChIInChI=1S/C16H30N2O3/c1-12(2)13(18(3)4)11-17-14(19)9-16(10-15(20)21)7-5-6-8-16/h12-13H,5-11H2,1-4H3,(H,17,19)(H,20,21)
InChIKeyODYVGEDSKUVUDX-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 104677954
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
N-(2-methylpropyl)-2-[1-[2-(2-methylpropylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025352
2-[1-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106142333
2-[1-[2-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 63298838
2-[[2-[1-(carboxymethyl)cyclopentyl]acetyl]amino]propanoic acid
CID 54959338
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60919907
2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 115696833
2-[1-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61464488
[1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol
CID 81412012

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61069840) is 2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is CC(C)C(CNC(=O)CC1(CC(=O)O)CCCC1)N(C)C.
What is the InChIKey of 2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is ODYVGEDSKUVUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)13(18(3)4)11-17-14(19)9-16(10-15(20)21)7-5-6-8-16/h12-13H,5-11H2,1-4H3,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 298.43 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).