2-[but-3-en-2-yl(ethyl)amino]acetic acid

C8H15NO2 — CID 62381772

IUPAC2-[but-3-en-2-yl(ethyl)amino]acetic acid
SMILESC=CC(C)N(CC)CC(=O)O
InChIInChI=1S/C8H15NO2/c1-4-7(3)9(5-2)6-8(10)11/h4,7H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyNQIRCXXOLUVOHN-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.97
Rot. Bonds5

About 2-[but-3-en-2-yl(ethyl)amino]acetic acid

2-[but-3-en-2-yl(ethyl)amino]acetic acid (PubChem CID 62381772) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-[but-3-en-2-yl(ethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[but-3-en-2-yl(ethyl)amino]acetic acid
PubChem CID62381772
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-[but-3-en-2-yl(ethyl)amino]acetic acid
SMILESC=CC(C)N(CC)CC(=O)O
InChIInChI=1S/C8H15NO2/c1-4-7(3)9(5-2)6-8(10)11/h4,7H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyNQIRCXXOLUVOHN-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[but-3-en-2-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258697
3-[but-3-en-2-yl(ethyl)amino]butanoic acid
CID 62828162
2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid
CID 79285638
2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
CID 87192330
2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid
CID 79285826
buta-1,3-diene;2-(diethylamino)acetic acid
CID 87268914
2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
CID 79276754
2-[butan-2-yl(2-methylidenebutyl)amino]acetic acid
CID 66045977
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839636
2-[(4-methoxy-4-methylpentan-2-yl)-prop-2-enylamino]acetic acid
CID 79285806
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395

Frequently Asked Questions

What is the IUPAC name of 2-[but-3-en-2-yl(ethyl)amino]acetic acid?
The IUPAC name of 2-[but-3-en-2-yl(ethyl)amino]acetic acid (CID 62381772) is 2-[but-3-en-2-yl(ethyl)amino]acetic acid.
What is the SMILES notation for 2-[but-3-en-2-yl(ethyl)amino]acetic acid?
The canonical SMILES for 2-[but-3-en-2-yl(ethyl)amino]acetic acid is C=CC(C)N(CC)CC(=O)O.
What is the InChIKey of 2-[but-3-en-2-yl(ethyl)amino]acetic acid?
The InChIKey is NQIRCXXOLUVOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(3)9(5-2)6-8(10)11/h4,7H,1,5-6H2,2-3H3,(H,10,11).
What are the key properties of 2-[but-3-en-2-yl(ethyl)amino]acetic acid?
2-[but-3-en-2-yl(ethyl)amino]acetic acid has a molecular weight of 157.21 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[but-3-en-2-yl(ethyl)amino]acetic acid is sourced from PubChem (CID 62381772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).