2-(3-methylbut-2-enylamino)acetic acid

C7H13NO2 — CID 19352183

IUPAC2-(3-methylbut-2-enylamino)acetic acid
SMILESCC(C)=CCNCC(=O)O
InChIInChI=1S/C7H13NO2/c1-6(2)3-4-8-5-7(9)10/h3,8H,4-5H2,1-2H3,(H,9,10)
InChIKeyQSNZCLMYJQOHAD-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.63
Rot. Bonds4

About 2-(3-methylbut-2-enylamino)acetic acid

2-(3-methylbut-2-enylamino)acetic acid (PubChem CID 19352183) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(3-methylbut-2-enylamino)acetic acid.

Molecular Properties

Compound Name2-(3-methylbut-2-enylamino)acetic acid
PubChem CID19352183
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-(3-methylbut-2-enylamino)acetic acid
SMILESCC(C)=CCNCC(=O)O
InChIInChI=1S/C7H13NO2/c1-6(2)3-4-8-5-7(9)10/h3,8H,4-5H2,1-2H3,(H,9,10)
InChIKeyQSNZCLMYJQOHAD-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylcrotonylglycine
CID 169485
N-Allylglycine
CID 76651
CID 36690796
CID 36690796
Methallylglycine
CID 22243119
N-But-2-en-1-ylglycine
CID 53407996
Prenylalanine
CID 83192655
cis-Crotylglycine
CID 87168838
Allylglycin-hydrobromid
CID 129648695
N-(ethynyl)allylglycine
CID 129652775
Carboxymethyl(prop-2-enyl)azanium
CID 134844890
2-(Allylamino)acetic acid hydrochloride
CID 19364742
2-[[(E)-but-2-enyl]amino]acetic acid;hydrochloride
CID 19364761

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enylamino)acetic acid?
The IUPAC name of 2-(3-methylbut-2-enylamino)acetic acid (CID 19352183) is 2-(3-methylbut-2-enylamino)acetic acid.
What is the SMILES notation for 2-(3-methylbut-2-enylamino)acetic acid?
The canonical SMILES for 2-(3-methylbut-2-enylamino)acetic acid is CC(C)=CCNCC(=O)O.
What is the InChIKey of 2-(3-methylbut-2-enylamino)acetic acid?
The InChIKey is QSNZCLMYJQOHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)3-4-8-5-7(9)10/h3,8H,4-5H2,1-2H3,(H,9,10).
What are the key properties of 2-(3-methylbut-2-enylamino)acetic acid?
2-(3-methylbut-2-enylamino)acetic acid has a molecular weight of 143.19 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enylamino)acetic acid is sourced from PubChem (CID 19352183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).