3-hydroxy-2-(2-methylpropylamino)propanoic acid

C7H15NO3 — CID 83635492

IUPAC3-hydroxy-2-(2-methylpropylamino)propanoic acid
SMILESCC(C)CNC(CO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-5(2)3-8-6(4-9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyZENVPUAZDQMYIS-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.32
Rot. Bonds5

About 3-hydroxy-2-(2-methylpropylamino)propanoic acid

3-hydroxy-2-(2-methylpropylamino)propanoic acid (PubChem CID 83635492) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methylpropylamino)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(2-methylpropylamino)propanoic acid
PubChem CID83635492
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-hydroxy-2-(2-methylpropylamino)propanoic acid
SMILESCC(C)CNC(CO)C(=O)O
InChIInChI=1S/C7H15NO3/c1-5(2)3-8-6(4-9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)
InChIKeyZENVPUAZDQMYIS-UHFFFAOYSA-N
XLogP-0.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(2-methylpropylamino)butanoic acid
CID 123309007
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
2-[[[(1S)-1-carboxy-2-hydroxyethyl]amino]methyl]-3-hydroxybutanoic acid
CID 162349225
(2S)-2-(2,2-dihydroxyethylamino)-3-hydroxypropanoic acid
CID 141052833
(2S)-2-(2-methylpropylamino)-3-sulfanylpropanoic acid;hydrochloride
CID 87312397
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
CID 104711257
(2S)-2,4-bis(2-methylpropylamino)-4-oxobutanoic acid
CID 2211191
(2S)-3-hydroxy-2-[[(2S)-4,4,4-trifluoro-2,3-dimethylbutyl]amino]propanoic acid
CID 155265502
acetic acid;2-(ethylamino)-3-hydroxypropanoic acid
CID 87797197
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
3-hydroxy-2-(2,3,4,5,6-pentahydroxyhexylamino)propanoic acid
CID 21427717

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-methylpropylamino)propanoic acid?
The IUPAC name of 3-hydroxy-2-(2-methylpropylamino)propanoic acid (CID 83635492) is 3-hydroxy-2-(2-methylpropylamino)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(2-methylpropylamino)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(2-methylpropylamino)propanoic acid is CC(C)CNC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(2-methylpropylamino)propanoic acid?
The InChIKey is ZENVPUAZDQMYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(2)3-8-6(4-9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 3-hydroxy-2-(2-methylpropylamino)propanoic acid?
3-hydroxy-2-(2-methylpropylamino)propanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methylpropylamino)propanoic acid is sourced from PubChem (CID 83635492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).