2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid

C11H22N2O3 — CID 60829080

IUPAC2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-6-8(2)13(7-9(14)15)10(16)12-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)
InChIKeyPLULWRVTPQWUBR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.68
Rot. Bonds4

About 2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid

2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid (PubChem CID 60829080) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
PubChem CID60829080
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-6-8(2)13(7-9(14)15)10(16)12-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)
InChIKeyPLULWRVTPQWUBR-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid (CID 60829080) is 2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid?
The InChIKey is PLULWRVTPQWUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-8(2)13(7-9(14)15)10(16)12-11(3,4)5/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15).
What are the key properties of 2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid?
2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 60829080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).