3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid

C9H18N2O4 — CID 88757399

IUPAC3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
SMILESCC(C)(CN)[C@@H](O)C(=O)NCCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,5-10)7(14)8(15)11-4-3-6(12)13/h7,14H,3-5,10H2,1-2H3,(H,11,15)(H,12,13)/t7-/m0/s1
InChIKeyHRRDZXMQKHGTBO-ZETCQYMHSA-N
MW218.25 g/mol
LogP-1.08
Rot. Bonds6

About 3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid

3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid (PubChem CID 88757399) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
PubChem CID88757399
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
SMILESCC(C)(CN)[C@@H](O)C(=O)NCCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-9(2,5-10)7(14)8(15)11-4-3-6(12)13/h7,14H,3-5,10H2,1-2H3,(H,11,15)(H,12,13)/t7-/m0/s1
InChIKeyHRRDZXMQKHGTBO-ZETCQYMHSA-N
XLogP-1.08
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydrochloride
CID 155803311
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
CID 174763260
CID 172837539
CID 172837539
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;gold
CID 176912960
acetic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
CID 129285625
sodium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 172998146
tricalcium;bis(3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid);bis(oxygen(2-))
CID 173212028
lithium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 174739358
calcium;magnesium;copper;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride;zinc
CID 174492859
calcium;bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate);3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
CID 173090351

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid (CID 88757399) is 3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid is CC(C)(CN)[C@@H](O)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid?
The InChIKey is HRRDZXMQKHGTBO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-9(2,5-10)7(14)8(15)11-4-3-6(12)13/h7,14H,3-5,10H2,1-2H3,(H,11,15)(H,12,13)/t7-/m0/s1.
What are the key properties of 3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid?
3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid has a molecular weight of 218.25 g/mol, XLogP of -1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-4-amino-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoic acid is sourced from PubChem (CID 88757399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).