2-[tert-butyl(2-oxobutyl)amino]acetic acid

C10H19NO3 — CID 89002120

IUPAC2-[tert-butyl(2-oxobutyl)amino]acetic acid
SMILESCCC(=O)CN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-8(12)6-11(7-9(13)14)10(2,3)4/h5-7H2,1-4H3,(H,13,14)
InChIKeyVEKYPVFRKVBWTC-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.15
Rot. Bonds5

About 2-[tert-butyl(2-oxobutyl)amino]acetic acid

2-[tert-butyl(2-oxobutyl)amino]acetic acid (PubChem CID 89002120) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[tert-butyl(2-oxobutyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(2-oxobutyl)amino]acetic acid
PubChem CID89002120
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[tert-butyl(2-oxobutyl)amino]acetic acid
SMILESCCC(=O)CN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-8(12)6-11(7-9(13)14)10(2,3)4/h5-7H2,1-4H3,(H,13,14)
InChIKeyVEKYPVFRKVBWTC-UHFFFAOYSA-N
XLogP1.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[tert-butyl(2-phenylethyl)amino]butan-2-one
CID 71046524
2-[carboxymethyl(1,1-dihydroxyethyl)amino]acetic acid
CID 22044432
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269029
2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
CID 79268654
2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid
CID 79268300
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 79269392
2-[tert-butyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetic acid
CID 79269288
1-[(2-hydroxy-2-methylpropyl)-methylamino]butan-2-one
CID 79390253
2-[tert-butyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]amino]acetic acid
CID 79268934
2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 79269292
2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid
CID 79269476
2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid
CID 79268852

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(2-oxobutyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(2-oxobutyl)amino]acetic acid (CID 89002120) is 2-[tert-butyl(2-oxobutyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(2-oxobutyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(2-oxobutyl)amino]acetic acid is CCC(=O)CN(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(2-oxobutyl)amino]acetic acid?
The InChIKey is VEKYPVFRKVBWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-8(12)6-11(7-9(13)14)10(2,3)4/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[tert-butyl(2-oxobutyl)amino]acetic acid?
2-[tert-butyl(2-oxobutyl)amino]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(2-oxobutyl)amino]acetic acid is sourced from PubChem (CID 89002120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).