2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid

C9H19NO4 — CID 104644711

IUPAC2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)C(CO)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H19NO4/c1-6(2)7(4-11)10-5-9(3,14)8(12)13/h6-7,10-11,14H,4-5H2,1-3H3,(H,12,13)
InChIKeyDWSDSLNFCOFHAJ-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.57
Rot. Bonds6

About 2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid

2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid (PubChem CID 104644711) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
PubChem CID104644711
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)C(CO)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H19NO4/c1-6(2)7(4-11)10-5-9(3,14)8(12)13/h6-7,10-11,14H,4-5H2,1-3H3,(H,12,13)
InChIKeyDWSDSLNFCOFHAJ-UHFFFAOYSA-N
XLogP-0.57
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644611
(2S)-2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbutan-1-ol
CID 79249473
2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
CID 104644120
3-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]pentan-3-ol
CID 114986046
2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoic acid
CID 104643638
3-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,2-dimethylpropanoic acid
CID 106349473
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid
CID 104644649
(2S)-2-[(3-hydroxy-3-methylbutyl)amino]-3-methylbutan-1-ol
CID 79355054
2-amino-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]propanoic acid
CID 79266873
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 113436567
2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 104644680

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid (CID 104644711) is 2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid is CC(C)C(CO)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is DWSDSLNFCOFHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-6(2)7(4-11)10-5-9(3,14)8(12)13/h6-7,10-11,14H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 205.25 g/mol, XLogP of -0.57, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 104644711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).