2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid

C8H15NO5 — CID 87703866

IUPAC2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid
SMILESCC(NC(=O)C(O)C(C)(C)O)C(=O)O
InChIInChI=1S/C8H15NO5/c1-4(7(12)13)9-6(11)5(10)8(2,3)14/h4-5,10,14H,1-3H3,(H,9,11)(H,12,13)
InChIKeyDWJHABAWTSPMEN-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.29
Rot. Bonds4

About 2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid

2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid (PubChem CID 87703866) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid
PubChem CID87703866
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid
SMILESCC(NC(=O)C(O)C(C)(C)O)C(=O)O
InChIInChI=1S/C8H15NO5/c1-4(7(12)13)9-6(11)5(10)8(2,3)14/h4-5,10,14H,1-3H3,(H,9,11)(H,12,13)
InChIKeyDWJHABAWTSPMEN-UHFFFAOYSA-N
XLogP-1.29
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropanoylamino)propanoic acid
CID 86130746
(2R)-2-[[(2S)-2-(tert-butylamino)propanoyl]amino]propanoic acid
CID 130454125
4-(1-carboxyethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498098
(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
CID 11063423
(2S)-2-[[(2S)-2-bromopropanoyl]amino]propanoic acid
CID 6933164
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
2-[2-(propan-2-ylamino)propanoylamino]propanoic acid
CID 178159250
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoic acid
CID 5488264
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 175909606
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydron;pentahydrate
CID 131855428

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid?
The IUPAC name of 2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid (CID 87703866) is 2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid is CC(NC(=O)C(O)C(C)(C)O)C(=O)O.
What is the InChIKey of 2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid?
The InChIKey is DWJHABAWTSPMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-4(7(12)13)9-6(11)5(10)8(2,3)14/h4-5,10,14H,1-3H3,(H,9,11)(H,12,13).
What are the key properties of 2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid?
2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid has a molecular weight of 205.21 g/mol, XLogP of -1.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydroxy-3-methylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 87703866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).