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

C10H16N2O4 — CID 79270679

IUPAC4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
SMILESC#CCNCC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-3-5-11-7-9(13)12-8(10(14)15)4-6-16-2/h1,8,11H,4-7H2,2H3,(H,12,13)(H,14,15)
InChIKeyRNZLYUIRMMKBCC-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.18
Rot. Bonds8

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

4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid (PubChem CID 79270679) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
PubChem CID79270679
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
SMILESC#CCNCC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-3-5-11-7-9(13)12-8(10(14)15)4-6-16-2/h1,8,11H,4-7H2,2H3,(H,12,13)(H,14,15)
InChIKeyRNZLYUIRMMKBCC-UHFFFAOYSA-N
XLogP-1.18
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid
CID 82787521
(2R)-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79272201
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
CID 62478643
5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
CID 82786530
2-methyl-6-[[2-(prop-2-ynylamino)acetyl]amino]heptanoic acid
CID 79271455
2-(but-3-yn-2-ylcarbamoylamino)-4-methoxybutanoic acid
CID 114418561
N-(2-methoxyethoxy)-2-(prop-2-ynylamino)acetamide
CID 82723059
2-(3-methoxypropanoylamino)pentanedioic acid
CID 62590397
2-(3-ethoxypropanoylamino)-4-methoxybutanoic acid
CID 62589911
N-(1,1-dimethoxypropan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79270267
2-(heptanoylamino)-4-methoxybutanoic acid
CID 62479658
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid (CID 79270679) is 4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid is C#CCNCC(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid?
The InChIKey is RNZLYUIRMMKBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-5-11-7-9(13)12-8(10(14)15)4-6-16-2/h1,8,11H,4-7H2,2H3,(H,12,13)(H,14,15).
What are the key properties of 4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid?
4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid has a molecular weight of 228.25 g/mol, XLogP of -1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid is sourced from PubChem (CID 79270679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).