2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid

C12H23NO4 — CID 174753736

IUPAC2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NCC(=O)O)(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H23NO4/c1-10(2,3)12(9(16)17,11(4,5)6)13-7-8(14)15/h13H,7H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyRVEPAWSPNBTQOV-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.58
Rot. Bonds4

About 2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid

2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid (PubChem CID 174753736) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid
PubChem CID174753736
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NCC(=O)O)(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H23NO4/c1-10(2,3)12(9(16)17,11(4,5)6)13-7-8(14)15/h13H,7H2,1-6H3,(H,14,15)(H,16,17)
InChIKeyRVEPAWSPNBTQOV-UHFFFAOYSA-N
XLogP1.58
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-diaminoethylamino)acetic acid
CID 87239108
3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid
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2-(carboxymethylamino)acetic acid
CID 8897
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;λ2-stannane
CID 173200141
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;hydrochloride
CID 22311667
2,2-dimethyl-3-oxopentanedioic acid
CID 19736971
2-(carboxymethylamino)-2-cyclopropylpropanedioic acid
CID 70180672
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid
CID 23451902
2,2-dimethylpropanoic acid
CID 87781698
2-[(2-methoxy-2-methylpropanoyl)amino]acetic acid
CID 115909635
2-(2,2,4,4-tetramethylpentylamino)acetic acid
CID 155323369

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid (CID 174753736) is 2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid is CC(C)(C)C(NCC(=O)O)(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid?
The InChIKey is RVEPAWSPNBTQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-10(2,3)12(9(16)17,11(4,5)6)13-7-8(14)15/h13H,7H2,1-6H3,(H,14,15)(H,16,17).
What are the key properties of 2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid?
2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 174753736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).