2-[(2-methoxy-2-oxoethyl)amino]butanoic acid

C7H13NO4 — CID 64667124

IUPAC2-[(2-methoxy-2-oxoethyl)amino]butanoic acid
SMILESCCC(NCC(=O)OC)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-5(7(10)11)8-4-6(9)12-2/h5,8H,3-4H2,1-2H3,(H,10,11)
InChIKeyDRLUNGNCQUITFC-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.39
Rot. Bonds5

About 2-[(2-methoxy-2-oxoethyl)amino]butanoic acid

2-[(2-methoxy-2-oxoethyl)amino]butanoic acid (PubChem CID 64667124) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)amino]butanoic acid
PubChem CID64667124
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-[(2-methoxy-2-oxoethyl)amino]butanoic acid
SMILESCCC(NCC(=O)OC)C(=O)O
InChIInChI=1S/C7H13NO4/c1-3-5(7(10)11)8-4-6(9)12-2/h5,8H,3-4H2,1-2H3,(H,10,11)
InChIKeyDRLUNGNCQUITFC-UHFFFAOYSA-N
XLogP-0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 103231211
2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid
CID 103240369
2-[(4-amino-2-oxobutyl)amino]butanoic acid
CID 151724427
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
(2S)-2-(2-methylpropylamino)butanoic acid
CID 149001158
methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate
CID 43116573
2-[(3-methoxy-3-oxopropyl)amino]pentanedioic acid
CID 123728829
2-(2-ethoxyethylamino)butanoic acid
CID 64668941
2-(hexylamino)-4-methoxy-4-oxobutanoic acid
CID 71332238
2-[2-[methyl(propan-2-yl)amino]ethylamino]butanoic acid
CID 64667381
(2S)-2-amino-4-[[(1S)-1-carboxy-3-[[(1S)-1-carboxypropyl]amino]propyl]amino]butanoic acid
CID 87413291
2-[(2-methoxy-2-oxoethyl)carbamoylamino]pentanedioic acid
CID 61181286

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)amino]butanoic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)amino]butanoic acid (CID 64667124) is 2-[(2-methoxy-2-oxoethyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)amino]butanoic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)amino]butanoic acid is CCC(NCC(=O)OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)amino]butanoic acid?
The InChIKey is DRLUNGNCQUITFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-5(7(10)11)8-4-6(9)12-2/h5,8H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)amino]butanoic acid?
2-[(2-methoxy-2-oxoethyl)amino]butanoic acid has a molecular weight of 175.18 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)amino]butanoic acid is sourced from PubChem (CID 64667124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).