2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid

C11H23NO3 — CID 79268714

IUPAC2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid
SMILESCOCCC(C)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-9(6-7-15-5)12(8-10(13)14)11(2,3)4/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyBVWZYKHGEQFZSP-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.60
Rot. Bonds6

About 2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid

2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid (PubChem CID 79268714) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid
PubChem CID79268714
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid
SMILESCOCCC(C)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-9(6-7-15-5)12(8-10(13)14)11(2,3)4/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyBVWZYKHGEQFZSP-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[tert-butyl(4-methoxybutan-2-yl)amino]propanoic acid
CID 65058573
2-[4-methoxybutan-2-yl(methyl)amino]acetic acid
CID 65056386
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[tert-butyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
CID 79268870
2-[(1-amino-1-oxobutan-2-yl)-tert-butylamino]acetic acid
CID 79268327
2-[tert-butyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 79269555
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid
CID 79268852
2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 79257428
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
methyl 2-[4-methoxybutan-2-yl(methyl)amino]acetate
CID 115688695
2-[tert-butyl-[1-(3-fluorophenyl)propan-2-yl]amino]acetic acid
CID 114834825

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid (CID 79268714) is 2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid is COCCC(C)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid?
The InChIKey is BVWZYKHGEQFZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(6-7-15-5)12(8-10(13)14)11(2,3)4/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid?
2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid has a molecular weight of 217.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid is sourced from PubChem (CID 79268714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).