2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid

C14H26N2O5S — CID 119192749

IUPAC2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)N(CC(=O)O)CC(C)C)CC1
InChIInChI=1S/C14H26N2O5S/c1-4-22(20,21)16-7-5-12(6-8-16)14(19)15(9-11(2)3)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyQUSONYMAPBIRGU-UHFFFAOYSA-N
MW334.44 g/mol
LogP0.62
Rot. Bonds7

About 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 119192749) has the molecular formula C14H26N2O5S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID119192749
Molecular FormulaC14H26N2O5S
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC Name2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCCS(=O)(=O)N1CCC(C(=O)N(CC(=O)O)CC(C)C)CC1
InChIInChI=1S/C14H26N2O5S/c1-4-22(20,21)16-7-5-12(6-8-16)14(19)15(9-11(2)3)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyQUSONYMAPBIRGU-UHFFFAOYSA-N
XLogP0.62
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylsulfonylpiperidine-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79262829
2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63072028
1-ethylsulfonyl-N,N-dipropylpiperidine-4-carboxamide
CID 113005924
2-[(1-butylsulfonylpiperidine-4-carbonyl)-methylamino]acetic acid
CID 119171791
2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193357
N,N-diethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 86865848
3-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]butanoic acid
CID 62820513
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065796
3-[carboxymethyl(cyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 82324207
3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190523
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206
2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
CID 107175437

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 119192749) is 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid is CCS(=O)(=O)N1CCC(C(=O)N(CC(=O)O)CC(C)C)CC1.
What is the InChIKey of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is QUSONYMAPBIRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5S/c1-4-22(20,21)16-7-5-12(6-8-16)14(19)15(9-11(2)3)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 334.44 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylsulfonylpiperidine-4-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119192749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).