2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid

C7H13NO3 — CID 14474982

IUPAC2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid
SMILESCOC/C=C/CNCC(=O)O
InChIInChI=1S/C7H13NO3/c1-11-5-3-2-4-8-6-7(9)10/h2-3,8H,4-6H2,1H3,(H,9,10)/b3-2+
InChIKeyLXGWLJNFVKZRDN-NSCUHMNNSA-N
MW159.18 g/mol
LogP-0.14
Rot. Bonds6

About 2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid

2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid (PubChem CID 14474982) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid
PubChem CID14474982
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid
SMILESCOC/C=C/CNCC(=O)O
InChIInChI=1S/C7H13NO3/c1-11-5-3-2-4-8-6-7(9)10/h2-3,8H,4-6H2,1H3,(H,9,10)/b3-2+
InChIKeyLXGWLJNFVKZRDN-NSCUHMNNSA-N
XLogP-0.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-But-2-en-1-ylglycine
CID 53407996
Acetic acid (Z)-4-ethylamino-but-2-enyl ester
CID 86682678
cis-Crotylglycine
CID 87168838
2-[(2-Oxo-2-prop-2-enoxyethyl)amino]acetic acid
CID 87207234
Prop-2-enyl 2-(ethylamino)acetate
CID 4577937
Crotylglycine
CID 19364762
methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate
CID 59367923
2-(2H-pyran-2-ylamino)acetic acid
CID 66659613
Methyl 4-(2-hydroxyethylamino)but-2-enoate
CID 72272406
Prop-2-enyl 2-(2-hydroxyethylamino)acetate
CID 87065185
Prop-2-enyl 2-(1,1-dihydroxyethylamino)acetate
CID 87329144
2-(2-Prop-2-enoxyethylamino)acetic acid
CID 88376211

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid?
The IUPAC name of 2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid (CID 14474982) is 2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid is COC/C=C/CNCC(=O)O.
What is the InChIKey of 2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid?
The InChIKey is LXGWLJNFVKZRDN-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-5-3-2-4-8-6-7(9)10/h2-3,8H,4-6H2,1H3,(H,9,10)/b3-2+.
What are the key properties of 2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid?
2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid has a molecular weight of 159.18 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-4-methoxybut-2-enyl]amino]acetic acid is sourced from PubChem (CID 14474982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).