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

C11H21NO4 — CID 4306222

IUPAC2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)NCCC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12-7-6-11(4,5)8(13)14/h6-7H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyTWMVVJUXUMIAAJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.01
Rot. Bonds4

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

2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 4306222) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID4306222
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)(C)OC(=O)NCCC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12-7-6-11(4,5)8(13)14/h6-7H2,1-5H3,(H,12,15)(H,13,14)
InChIKeyTWMVVJUXUMIAAJ-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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Related Compounds

4-(((Tert-butoxy)carbonyl)amino)butanoic acid
CID 294894
(R)-2-(((tert-Butoxycarbonyl)amino)methyl)butanoic acid
CID 12155293
Methyl 4-((tert-butoxycarbonyl)amino)butanoate
CID 13112352
(S)-2-[(Boc-amino)methyl]-3-methylbutyric acid
CID 45933879
(2S)-2-((((tert-butoxy)carbonyl)amino)methyl)butanoic acid
CID 51340352
(R)-2-((Boc-amino)methyl)-3-methylbutyric acid
CID 44119515
(4S)-4-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 2755918
4-{[(Tert-butoxy)carbonyl]amino}pentanoic acid
CID 4712490
4-([(Tert-butoxy)carbonyl]amino)-2-ethylbutanoic acid
CID 18544405
2-({[(Tert-butoxy)carbonyl]amino}methyl)-3-methylbutanoic acid
CID 22996654
(4R)-4-(((tert-butoxy)carbonyl)amino)pentanoic acid
CID 45092285
Boc-amcp-OH
CID 51340346

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 4306222) is 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CC(C)(C)OC(=O)NCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is TWMVVJUXUMIAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)16-9(15)12-7-6-11(4,5)8(13)14/h6-7H2,1-5H3,(H,12,15)(H,13,14).
What are the key properties of 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
2,2-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 2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 4306222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).