2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid

C14H28N2O3 — CID 63066154

IUPAC2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)8-16(9-12(17)18)13(19)15(7)11(3)14(4,5)6/h10-11H,8-9H2,1-7H3,(H,17,18)
InChIKeyBQCQKTPWKVVSKC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.52
Rot. Bonds5

About 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid

2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63066154) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63066154
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-10(2)8-16(9-12(17)18)13(19)15(7)11(3)14(4,5)6/h10-11H,8-9H2,1-7H3,(H,17,18)
InChIKeyBQCQKTPWKVVSKC-UHFFFAOYSA-N
XLogP2.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid (CID 63066154) is 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is BQCQKTPWKVVSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)8-16(9-12(17)18)13(19)15(7)11(3)14(4,5)6/h10-11H,8-9H2,1-7H3,(H,17,18).
What are the key properties of 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63066154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).