2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid

C10H21NO3 — CID 104644167

IUPAC2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
SMILESCCC(NCC(C)(O)C(=O)O)C(C)C
InChIInChI=1S/C10H21NO3/c1-5-8(7(2)3)11-6-10(4,14)9(12)13/h7-8,11,14H,5-6H2,1-4H3,(H,12,13)
InChIKeySGSANGFHMHLGBE-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.85
Rot. Bonds6

About 2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid

2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid (PubChem CID 104644167) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
PubChem CID104644167
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
SMILESCCC(NCC(C)(O)C(=O)O)C(C)C
InChIInChI=1S/C10H21NO3/c1-5-8(7(2)3)11-6-10(4,14)9(12)13/h7-8,11,14H,5-6H2,1-4H3,(H,12,13)
InChIKeySGSANGFHMHLGBE-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644711
2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644611
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid
CID 104644649
2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol
CID 115896051
3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175333
2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 104643638
4-(2-methylpentan-3-ylamino)butanoic acid
CID 60782798
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
CID 104644120
2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 61469518
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175335

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid (CID 104644167) is 2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid is CCC(NCC(C)(O)C(=O)O)C(C)C.
What is the InChIKey of 2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid?
The InChIKey is SGSANGFHMHLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-8(7(2)3)11-6-10(4,14)9(12)13/h7-8,11,14H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid?
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.85, 6 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-(2-methylpentan-3-ylamino)propanoic acid is sourced from PubChem (CID 104644167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).