2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid

C15H27NO6 — CID 88755093

IUPAC2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)N(C(C)(CC)C(=O)O)C(C)(CC)C(=O)O
InChIInChI=1S/C15H27NO6/c1-7-13(4,10(17)18)16(14(5,8-2)11(19)20)15(6,9-3)12(21)22/h7-9H2,1-6H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyQOZJBEGGGXKHEY-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.05
Rot. Bonds9

About 2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid

2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid (PubChem CID 88755093) has the molecular formula C15H27NO6 and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
PubChem CID88755093
Molecular FormulaC15H27NO6
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Name2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)N(C(C)(CC)C(=O)O)C(C)(CC)C(=O)O
InChIInChI=1S/C15H27NO6/c1-7-13(4,10(17)18)16(14(5,8-2)11(19)20)15(6,9-3)12(21)22/h7-9H2,1-6H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyQOZJBEGGGXKHEY-UHFFFAOYSA-N
XLogP2.05
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 175912914
CID 175912914
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
2-(dipropylamino)-2-methylbutanoic acid
CID 78969481
2-[butyl(methyl)amino]-2-methylbutanoic acid
CID 114988987
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
2-[1-methoxypropan-2-yl(methyl)amino]-2-methylbutanoic acid
CID 114995148
2,2-dimethylbutanoic acid;methane
CID 159782886
3-(dimethylamino)-3-methyl-2-methylidenepentanoic acid
CID 54416326
4-hydroxy-2,2,4-trimethylhexanoic acid
CID 114495175
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
carbanide;2,2-dimethylbutanoic acid;vanadium
CID 58461761

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid (CID 88755093) is 2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid is CCC(C)(C(=O)O)N(C(C)(CC)C(=O)O)C(C)(CC)C(=O)O.
What is the InChIKey of 2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid?
The InChIKey is QOZJBEGGGXKHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO6/c1-7-13(4,10(17)18)16(14(5,8-2)11(19)20)15(6,9-3)12(21)22/h7-9H2,1-6H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid?
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid has a molecular weight of 317.38 g/mol, XLogP of 2.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 88755093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).