3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid

C8H15NO4 — CID 115352380

IUPAC3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid
SMILESCCC(NCCC(=O)O)C(=O)OC
InChIInChI=1S/C8H15NO4/c1-3-6(8(12)13-2)9-5-4-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyNZLZVLQXFWRYBC-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.00
Rot. Bonds6

About 3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid

3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid (PubChem CID 115352380) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid
PubChem CID115352380
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid
SMILESCCC(NCCC(=O)O)C(=O)OC
InChIInChI=1S/C8H15NO4/c1-3-6(8(12)13-2)9-5-4-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyNZLZVLQXFWRYBC-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butylamino)-5-methoxy-5-oxopentanoic acid
CID 174549322
6-[[(2R)-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexanoic acid
CID 163407483
methyl 2-(pent-3-ynylamino)butanoate
CID 116642807
ethyl 2-[(3-amino-3-oxopropyl)amino]butanoate
CID 64668159
methyl 2-[3-(diethylamino)propylamino]butanoate
CID 115352179
(3S)-3-(butylamino)-4-methoxy-4-oxobutanoic acid
CID 87886758
methyl 2-(2,2,3-trimethylbutylamino)butanoate
CID 107302680
3-(butylamino)-4-methoxy-4-oxobutanoic acid
CID 174535168
ethyl 2-(propylamino)butanoate
CID 60795885
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
methyl 2-(propylamino)pentanoate
CID 60795873

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid (CID 115352380) is 3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid is CCC(NCCC(=O)O)C(=O)OC.
What is the InChIKey of 3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid?
The InChIKey is NZLZVLQXFWRYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-3-6(8(12)13-2)9-5-4-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid?
3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid is sourced from PubChem (CID 115352380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).