(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid

C10H19NO5 — CID 107823761

IUPAC(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid
SMILESCOC(C)(C)CC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H19NO5/c1-10(2,16-3)6-8(13)11-7(4-5-12)9(14)15/h7,12H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t7-/m1/s1
InChIKeyQVKMHWBWCZNLMV-SSDOTTSWSA-N
MW233.26 g/mol
LogP-0.25
Rot. Bonds7

About (2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid (PubChem CID 107823761) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid
PubChem CID107823761
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid
SMILESCOC(C)(C)CC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H19NO5/c1-10(2,16-3)6-8(13)11-7(4-5-12)9(14)15/h7,12H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t7-/m1/s1
InChIKeyQVKMHWBWCZNLMV-SSDOTTSWSA-N
XLogP-0.25
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
CID 103021727
(2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 107822678
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103020990
(2S)-4-hydroxy-2-(3-oxobutanoylamino)butanoic acid
CID 54118201
(2S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 13066457
2-[2-[(1-carboxy-3-hydroxypropyl)amino]-2-oxoethyl]-2-hydroxybutanedioic acid
CID 140946110
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223
(2S)-4-hydroxy-2-[(2-sulfanylacetyl)amino]butanoic acid
CID 91260947
2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
CID 61244410
2-(3,3-dimethylbutanoylamino)pentanoic acid
CID 43631047
(2S)-4-hydroxy-2-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107822300

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid (CID 107823761) is (2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid is COC(C)(C)CC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid?
The InChIKey is QVKMHWBWCZNLMV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19NO5/c1-10(2,16-3)6-8(13)11-7(4-5-12)9(14)15/h7,12H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid has a molecular weight of 233.26 g/mol, XLogP of -0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid is sourced from PubChem (CID 107823761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).