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

C12H23NO4 — CID 106488784

IUPAC2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23NO4/c1-8(2)12(6,9(14)15)7-13-10(16)17-11(3,4)5/h8H,7H2,1-6H3,(H,13,16)(H,14,15)
InChIKeyWWJPPGJVGYEQQN-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.26
Rot. Bonds4

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

2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid (PubChem CID 106488784) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
PubChem CID106488784
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C12H23NO4/c1-8(2)12(6,9(14)15)7-13-10(16)17-11(3,4)5/h8H,7H2,1-6H3,(H,13,16)(H,14,15)
InChIKeyWWJPPGJVGYEQQN-UHFFFAOYSA-N
XLogP2.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid with MolForge

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Related Compounds

2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
(2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 153408462
2,2-difluoro-3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 178200641
5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylpentanoic acid
CID 106488766
5-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propan-2-ylhexanoic acid
CID 106488758
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid
CID 159806764
tert-butyl N-[2-methyl-2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]disulfanyl]propyl]carbamate
CID 140880756

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid?
The IUPAC name of 2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid (CID 106488784) is 2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid is CC(C)C(C)(CNC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid?
The InChIKey is WWJPPGJVGYEQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-8(2)12(6,9(14)15)7-13-10(16)17-11(3,4)5/h8H,7H2,1-6H3,(H,13,16)(H,14,15).
What are the key properties of 2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid?
2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid has a molecular weight of 245.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid is sourced from PubChem (CID 106488784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).