(3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid

C7H17N3O3 — CID 18610876

IUPAC(3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid
SMILESCNC(NC)(C(=O)O)[C@@](C)(O)NC
InChIInChI=1S/C7H17N3O3/c1-6(13,8-2)7(9-3,10-4)5(11)12/h8-10,13H,1-4H3,(H,11,12)/t6-/m1/s1
InChIKeyUWUHXKFVJRBBAI-ZCFIWIBFSA-N
MW191.23 g/mol
LogP-1.87
Rot. Bonds5

About (3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid

(3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid (PubChem CID 18610876) has the molecular formula C7H17N3O3 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid
PubChem CID18610876
Molecular FormulaC7H17N3O3
Molecular Weight191.23 g/mol
Exact Mass191.13
IUPAC Name(3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid
SMILESCNC(NC)(C(=O)O)[C@@](C)(O)NC
InChIInChI=1S/C7H17N3O3/c1-6(13,8-2)7(9-3,10-4)5(11)12/h8-10,13H,1-4H3,(H,11,12)/t6-/m1/s1
InChIKeyUWUHXKFVJRBBAI-ZCFIWIBFSA-N
XLogP-1.87
TPSA93.62 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)
CID 5255084
lithium;hydride;2-hydroxy-2-(methylamino)butanedioic acid
CID 174961649
2,2-dimethylpropanoic acid
CID 87781698
carbonic acid;2-methylpropan-2-ol
CID 87955021
3-hydroxy-3-(methylamino)butan-2-one
CID 59918462
2-bromo-2-hydroxypropanoic acid
CID 88707429
(2R,3S)-2,3,4-trihydroxy-2,3-dimethyl-4-oxobutanoate
CID 132502832
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
2,2-dihydroxy-2-phosphanylacetic acid
CID 174853171
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
(2S,3S)-2,3-ditert-butyl-2,3-dihydroxybutanedioic acid
CID 151227491

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid?
The IUPAC name of (3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid (CID 18610876) is (3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid?
The canonical SMILES for (3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid is CNC(NC)(C(=O)O)[C@@](C)(O)NC.
What is the InChIKey of (3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid?
The InChIKey is UWUHXKFVJRBBAI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H17N3O3/c1-6(13,8-2)7(9-3,10-4)5(11)12/h8-10,13H,1-4H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid?
(3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid has a molecular weight of 191.23 g/mol, XLogP of -1.87, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2,2,3-tris(methylamino)butanoic acid is sourced from PubChem (CID 18610876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).