4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid

C8H16N2O4 — CID 62478643

IUPAC4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
SMILESCNCC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-9-5-7(11)10-6(8(12)13)3-4-14-2/h6,9H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyRBLZXUYTAFWBAZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.19
Rot. Bonds7

About 4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid

4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid (PubChem CID 62478643) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
PubChem CID62478643
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
SMILESCNCC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-9-5-7(11)10-6(8(12)13)3-4-14-2/h6,9H,3-5H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyRBLZXUYTAFWBAZ-UHFFFAOYSA-N
XLogP-1.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79270679
2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
CID 62589911
2-[[2-(methylamino)acetyl]amino]-4-methylsulfonylbutanoic acid
CID 61157970
2-(heptanoylamino)-4-methoxybutanoic acid
CID 62479658
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531
2-[(3-amino-3-phenylpropanoyl)amino]-4-methoxybutanoic acid
CID 62478473
2-(7-aminoheptanoylamino)-4-methoxybutanoic acid
CID 62478125
5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
CID 82786530
2-[(2-butoxyacetyl)amino]-4-methoxybutanoic acid
CID 120702050
2-(3-methoxypropanoylamino)pentanoic acid
CID 62589483
2-(3-methoxypropanoylamino)pentanedioic acid
CID 62590397

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid (CID 62478643) is 4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid is CNCC(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid?
The InChIKey is RBLZXUYTAFWBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-9-5-7(11)10-6(8(12)13)3-4-14-2/h6,9H,3-5H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid?
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid is sourced from PubChem (CID 62478643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).