(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid

C11H21NO4 — CID 103940348

IUPAC(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)COC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(2)9(10(14)15)12-8(13)6-16-11(3,4)5/h7,9H,6H2,1-5H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyBFKKRWLKCOYADV-SECBINFHSA-N
MW231.29 g/mol
LogP1.03
Rot. Bonds5

About (2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid

(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid (PubChem CID 103940348) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
PubChem CID103940348
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
SMILESCC(C)[C@@H](NC(=O)COC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-7(2)9(10(14)15)12-8(13)6-16-11(3,4)5/h7,9H,6H2,1-5H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyBFKKRWLKCOYADV-SECBINFHSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid with MolForge

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide
CID 166979517
3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid
CID 20799020
4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
CID 112601946
(2R)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoic acid
CID 103940335
tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
CID 103940412
(2R)-2-(4,4-dimethylpentanoylamino)-3-methylbutanoic acid
CID 119368120
2-[(2-carboxyacetyl)amino]-3-methylbutanoic acid
CID 62232475
N-(2-methyl-1-phenylpropyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605048
(2S)-2-[[(2S)-2-(3,3-dimethylbutanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 10686752
(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193
(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanoic acid
CID 87567267
3-methyl-2-[[(2S)-3-methyl-2-[[6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoyl]amino]butanoyl]amino]butanoic acid
CID 142118833

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid (CID 103940348) is (2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid is CC(C)[C@@H](NC(=O)COC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid?
The InChIKey is BFKKRWLKCOYADV-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7(2)9(10(14)15)12-8(13)6-16-11(3,4)5/h7,9H,6H2,1-5H3,(H,12,13)(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid?
(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid is sourced from PubChem (CID 103940348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).