2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid

C11H23NO3 — CID 104644649

IUPAC2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid
SMILESCCC(C)CC(C)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-8(2)6-9(3)12-7-11(4,15)10(13)14/h8-9,12,15H,5-7H2,1-4H3,(H,13,14)
InChIKeyVFLJKMQVFIRRGY-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.24
Rot. Bonds7

About 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid

2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid (PubChem CID 104644649) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid
PubChem CID104644649
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid
SMILESCCC(C)CC(C)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-8(2)6-9(3)12-7-11(4,15)10(13)14/h8-9,12,15H,5-7H2,1-4H3,(H,13,14)
InChIKeyVFLJKMQVFIRRGY-UHFFFAOYSA-N
XLogP1.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 66177031
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 104643638
3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175333
2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644711
2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
CID 104644120
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644611
tert-butyl (2R)-2-hydroxy-2-methyl-3-[[(2R)-4-methylpentan-2-yl]amino]propanoate
CID 97308748
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
(Z)-2-methyl-4-(4-methylhexan-2-ylamino)but-2-enoic acid
CID 103252380
2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 66176778

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid (CID 104644649) is 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid is CCC(C)CC(C)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid?
The InChIKey is VFLJKMQVFIRRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-8(2)6-9(3)12-7-11(4,15)10(13)14/h8-9,12,15H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid?
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid is sourced from PubChem (CID 104644649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).