3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid

C10H19NO4 — CID 20799020

IUPAC3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid
SMILESCC(C)OCC(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)9(10(13)14)11-8(12)5-15-7(3)4/h6-7,9H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyWVDHOCGOQDOLLT-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds6

About 3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid

3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid (PubChem CID 20799020) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid
PubChem CID20799020
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid
SMILESCC(C)OCC(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-6(2)9(10(13)14)11-8(12)5-15-7(3)4/h6-7,9H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyWVDHOCGOQDOLLT-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
CID 103940348
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 103940490
ethane;N-propan-2-yl-2-propan-2-yloxyacetamide
CID 167679831
2-[(2-carboxyacetyl)amino]-3-methylbutanoic acid
CID 62232475
N-(3,3-dimethylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 115622733
N-(1-methoxy-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 112692857
(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanoic acid
CID 87567267
(2S)-2-(3,3-diaminopropanoylamino)-3-methylbutanoic acid
CID 18639227
(2S)-2-[[2-(chloroamino)acetyl]amino]-3-methylbutanoic acid
CID 102019018
(2S)-2-[(2-propan-2-yloxyacetyl)amino]hexanoic acid
CID 107144537
(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157390
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid (CID 20799020) is 3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid is CC(C)OCC(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid?
The InChIKey is WVDHOCGOQDOLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6(2)9(10(13)14)11-8(12)5-15-7(3)4/h6-7,9H,5H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid?
3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid is sourced from PubChem (CID 20799020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).