3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C11H21NO4 — CID 87471256

IUPAC3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(CNC(=O)OC(C)(C)C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12-7-11(4,5)6-8(13)14/h6-7H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyMFKIFVQJZNMZJB-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.01
Rot. Bonds4

About 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 87471256) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID87471256
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(CNC(=O)OC(C)(C)C)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12-7-11(4,5)6-8(13)14/h6-7H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyMFKIFVQJZNMZJB-UHFFFAOYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 87471256) is 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CC(C)(CNC(=O)OC(C)(C)C)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is MFKIFVQJZNMZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12-7-11(4,5)6-8(13)14/h6-7H2,1-5H3,(H,12,15)(H,13,14).
What are the key properties of 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 87471256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).