2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid

C13H26N2O3 — CID 103463265

IUPAC2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
SMILESCCC(C)(C)CNC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H26N2O3/c1-6-13(4,5)9-14-12(18)15(7-10(2)3)8-11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyWCDRSMFRYZZBJA-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.17
Rot. Bonds7

About 2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid

2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid (PubChem CID 103463265) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
PubChem CID103463265
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
SMILESCCC(C)(C)CNC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C13H26N2O3/c1-6-13(4,5)9-14-12(18)15(7-10(2)3)8-11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyWCDRSMFRYZZBJA-UHFFFAOYSA-N
XLogP2.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid
CID 107439464
2-[2-ethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid
CID 113363878
2-[carboxymethyl-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]amino]acetic acid
CID 63646436
2-[2-methylpropyl(4,4,4-trifluorobutylcarbamoyl)amino]acetic acid
CID 113327921
2-[2-methylpropyl-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]amino]acetic acid
CID 113363333
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670
2-[(4-chlorophenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066307
2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066342
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid
CID 103463334
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65290122
2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 115585828

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid (CID 103463265) is 2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid is CCC(C)(C)CNC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid?
The InChIKey is WCDRSMFRYZZBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-13(4,5)9-14-12(18)15(7-10(2)3)8-11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid?
2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid has a molecular weight of 258.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylbutylcarbamoyl(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 103463265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).