2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid

C13H26N2O3 — CID 79256590

IUPAC2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(C)CC(C)NC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)7-10(3)14-12(18)15(8-11(16)17)13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,18)(H,16,17)
InChIKeySKGITRDBBHVZKR-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.32
Rot. Bonds5

About 2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid

2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid (PubChem CID 79256590) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
PubChem CID79256590
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
SMILESCC(C)CC(C)NC(=O)N(CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(2)7-10(3)14-12(18)15(8-11(16)17)13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,18)(H,16,17)
InChIKeySKGITRDBBHVZKR-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[tert-butyl(but-3-yn-2-ylcarbamoyl)amino]acetic acid
CID 114418439
2-[tert-butyl-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]amino]acetic acid
CID 79257258
2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 79271343
2-[tert-butyl-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]amino]acetic acid
CID 114168140
2-[tert-butyl(1-cyclopropylbutan-2-ylcarbamoyl)amino]acetic acid
CID 79256531
2-[tert-butyl(3-ethylpentan-3-ylcarbamoyl)amino]acetic acid
CID 79256452
2-[tert-butyl-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256526
3-[tert-butyl(pent-4-yn-2-ylcarbamoyl)amino]propanoic acid
CID 113478023
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 103928461
2-[tert-butyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 113471918
5-[[tert-butyl(prop-2-enyl)carbamoyl]amino]hexanoic acid
CID 82848938
2-[tert-butyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79264253

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid (CID 79256590) is 2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid is CC(C)CC(C)NC(=O)N(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is SKGITRDBBHVZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)7-10(3)14-12(18)15(8-11(16)17)13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,18)(H,16,17).
What are the key properties of 2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid?
2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 79256590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).