2-amino-3-(but-3-ynylamino)propanoic acid

C7H12N2O2 — CID 64582240

IUPAC2-amino-3-(but-3-ynylamino)propanoic acid
SMILESC#CCCNCC(N)C(=O)O
InChIInChI=1S/C7H12N2O2/c1-2-3-4-9-5-6(8)7(10)11/h1,6,9H,3-5,8H2,(H,10,11)
InChIKeyWEMMTASPMKOMGF-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.99
Rot. Bonds5

About 2-amino-3-(but-3-ynylamino)propanoic acid

2-amino-3-(but-3-ynylamino)propanoic acid (PubChem CID 64582240) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-amino-3-(but-3-ynylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(but-3-ynylamino)propanoic acid
PubChem CID64582240
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-amino-3-(but-3-ynylamino)propanoic acid
SMILESC#CCCNCC(N)C(=O)O
InChIInChI=1S/C7H12N2O2/c1-2-3-4-9-5-6(8)7(10)11/h1,6,9H,3-5,8H2,(H,10,11)
InChIKeyWEMMTASPMKOMGF-UHFFFAOYSA-N
XLogP-0.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-amino-3-(3-methylsulfonylpropylamino)propanoic acid
CID 64582441
(2R)-2-aminooct-7-ynoic acid
CID 87403836
2-aminopent-4-ynoic acid;hydrochloride
CID 53229946
2-amino-3-[(3-ethoxy-3-oxopropyl)amino]propanoic acid
CID 103245375
2-amino-3-[2-(2,4,5-trimethylphenyl)ethylamino]propanoic acid
CID 115240850
2-amino-3-hydrazinylpropanoic acid
CID 155021010
(2R)-2-amino-3-but-3-ynylsulfinylpropanoic acid
CID 132508502
(2S)-2-(but-3-ynylamino)propanoic acid
CID 83194577
(2R)-2-(but-3-ynylamino)propanoic acid
CID 83194835
2-amino-3-[2-(4-hydroxyphenyl)ethylamino]propanoic acid
CID 64583240
2-amino-3-(3-propoxypropylamino)propanoic acid
CID 82947080
2-amino-3-(pent-3-ynylamino)propanamide
CID 103266574

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(but-3-ynylamino)propanoic acid?
The IUPAC name of 2-amino-3-(but-3-ynylamino)propanoic acid (CID 64582240) is 2-amino-3-(but-3-ynylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(but-3-ynylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(but-3-ynylamino)propanoic acid is C#CCCNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(but-3-ynylamino)propanoic acid?
The InChIKey is WEMMTASPMKOMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-3-4-9-5-6(8)7(10)11/h1,6,9H,3-5,8H2,(H,10,11).
What are the key properties of 2-amino-3-(but-3-ynylamino)propanoic acid?
2-amino-3-(but-3-ynylamino)propanoic acid has a molecular weight of 156.19 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(but-3-ynylamino)propanoic acid is sourced from PubChem (CID 64582240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).