3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid

C10H20N2O4 — CID 106108860

IUPAC3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CNC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)12-6-8(13)11-5-7(16-4)9(14)15/h7,12H,5-6H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyXPBWLBJQKQRQPT-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.41
Rot. Bonds6

About 3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid

3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid (PubChem CID 106108860) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid
PubChem CID106108860
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CNC(C)(C)C)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)12-6-8(13)11-5-7(16-4)9(14)15/h7,12H,5-6H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyXPBWLBJQKQRQPT-UHFFFAOYSA-N
XLogP-0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid
CID 106109020
2-methoxy-3-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 106108807
2-(tert-butylamino)-N-[(2R)-2-hydroxypropyl]acetamide
CID 103884721
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid
CID 106108926
2-methoxy-3-(3-methylpentanoylamino)propanoic acid
CID 106107442
2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
CID 106110317
2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid
CID 106108102
3-[(2,2-difluoroacetyl)amino]-2-methoxypropanoic acid
CID 106107877
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
CID 106107186
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243
3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109985

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid (CID 106108860) is 3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)CNC(C)(C)C)C(=O)O.
What is the InChIKey of 3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid?
The InChIKey is XPBWLBJQKQRQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)12-6-8(13)11-5-7(16-4)9(14)15/h7,12H,5-6H2,1-4H3,(H,11,13)(H,14,15).
What are the key properties of 3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid?
3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).