2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid

C13H26N2O3 — CID 79269394

IUPAC2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H26N2O3/c1-11(2,3)15(8-9(16)17)10(18)12(4,5)13(6,7)14/h8,14H2,1-7H3,(H,16,17)
InChIKeyXXTULOLBPABZRT-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.46
Rot. Bonds4

About 2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid

2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid (PubChem CID 79269394) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid
PubChem CID79269394
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H26N2O3/c1-11(2,3)15(8-9(16)17)10(18)12(4,5)13(6,7)14/h8,14H2,1-7H3,(H,16,17)
InChIKeyXXTULOLBPABZRT-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-aminopropanoyl(tert-butyl)amino]acetic acid
CID 79268862
2-[(3-amino-2,2,3-trimethylbutanoyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65269730
2-[(3-amino-2-methylpropanoyl)-tert-butylamino]acetic acid
CID 79268237
3-amino-N-(2-amino-2-oxoethyl)-N,2,2,3-tetramethylbutanamide
CID 65264440
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-4-chloroanilino)acetic acid
CID 65269874
2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-tert-butylamino]acetic acid
CID 79257345
2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 79266405
2-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-tert-butylamino]acetic acid
CID 79256681
2-[tert-butyl(thiolane-3-carbonyl)amino]acetic acid
CID 79266759
2-(N-(3-amino-2,2,3-trimethylbutanoyl)-3-chloroanilino)acetic acid
CID 65269873
2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
CID 79256452
4-[(3-amino-2,2,3-trimethylbutanoyl)-propan-2-ylamino]butanoic acid
CID 65269921

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid?
The IUPAC name of 2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid (CID 79269394) is 2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid?
The canonical SMILES for 2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid?
The InChIKey is XXTULOLBPABZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(2,3)15(8-9(16)17)10(18)12(4,5)13(6,7)14/h8,14H2,1-7H3,(H,16,17).
What are the key properties of 2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid?
2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2,3-trimethylbutanoyl)-tert-butylamino]acetic acid is sourced from PubChem (CID 79269394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).