2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid

C10H21NO4S — CID 106736073

IUPAC2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid
SMILESCC(C)(C)S(=O)(=O)CCC(CCN)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-10(2,3)16(14,15)7-5-8(4-6-11)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyFDBTVAASKBRKOE-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.64
Rot. Bonds6

About 2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid

2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid (PubChem CID 106736073) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid
PubChem CID106736073
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid
SMILESCC(C)(C)S(=O)(=O)CCC(CCN)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-10(2,3)16(14,15)7-5-8(4-6-11)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyFDBTVAASKBRKOE-UHFFFAOYSA-N
XLogP0.64
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butylsulfonylethyl)pentanoic acid
CID 106727777
2-(2-tert-butylsulfonylethyl)-3-methylbutanoic acid
CID 106727780
4-tert-butylsulfonyl-2-methoxycarbonylbutanoic acid
CID 106736002
2-(2-aminoethyl)nonanoic acid
CID 104680899
2-(2-aminoethyl)octadecanoic acid
CID 54025424
3-(2-tert-butylsulfonylethyl)-5-chloropentan-2-one
CID 106729211
4-tert-butylsulfonyl-2-ethylbutan-1-amine
CID 106729540
4-amino-2-(fluoromethyl)butanoic acid
CID 83815073
2-(2-aminoethyl)-5-(2-methoxyethoxy)pentanoic acid
CID 103416670
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
2-(2-aminoethyl)-4-hydroxypentanoic acid
CID 104680935
2-(2-aminoethyl)hept-6-enoic acid
CID 104681057

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid?
The IUPAC name of 2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid (CID 106736073) is 2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid.
What is the SMILES notation for 2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid?
The canonical SMILES for 2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid is CC(C)(C)S(=O)(=O)CCC(CCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid?
The InChIKey is FDBTVAASKBRKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-10(2,3)16(14,15)7-5-8(4-6-11)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid?
2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid has a molecular weight of 251.35 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-tert-butylsulfonylbutanoic acid is sourced from PubChem (CID 106736073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).