2-[1-aminoethyl(prop-2-enyl)amino]acetic acid

C7H14N2O2 — CID 87192330

IUPAC2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(C)N
InChIInChI=1S/C7H14N2O2/c1-3-4-9(6(2)8)5-7(10)11/h3,6H,1,4-5,8H2,2H3,(H,10,11)
InChIKeyGGWKETASHNLFRG-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.14
Rot. Bonds5

About 2-[1-aminoethyl(prop-2-enyl)amino]acetic acid

2-[1-aminoethyl(prop-2-enyl)amino]acetic acid (PubChem CID 87192330) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-[1-aminoethyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
PubChem CID87192330
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-[1-aminoethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(C)N
InChIInChI=1S/C7H14N2O2/c1-3-4-9(6(2)8)5-7(10)11/h3,6H,1,4-5,8H2,2H3,(H,10,11)
InChIKeyGGWKETASHNLFRG-UHFFFAOYSA-N
XLogP-0.14
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1-amino-1-oxopropan-2-yl)-prop-2-enylamino]acetic acid
CID 79276754
2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid
CID 79285638
2-[1-cyclopropylethyl(prop-2-enyl)amino]acetic acid
CID 79285826
2-[1-methoxybutan-2-yl(prop-2-enyl)amino]acetic acid
CID 79285042
2-[(4-methoxy-4-methylpentan-2-yl)-prop-2-enylamino]acetic acid
CID 79285806
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-prop-2-enylamino]acetic acid
CID 79276444
2-[bis(prop-2-enyl)amino]propanamide
CID 82040435
2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 104903696
2-[1-(5-bromofuran-2-yl)ethyl-prop-2-enylamino]acetic acid
CID 104654114
2-[3-[bis(carboxymethyl)amino]butan-2-yl-(carboxymethyl)amino]acetic acid;butane-2,3-diamine
CID 23020639
2-[[(2S,3S)-2-amino-3-methylpentanoyl]-prop-2-enylamino]acetic acid
CID 79263366
2-[2-methylpropoxycarbonyl(prop-2-enyl)amino]acetic acid
CID 79263335

Frequently Asked Questions

What is the IUPAC name of 2-[1-aminoethyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[1-aminoethyl(prop-2-enyl)amino]acetic acid (CID 87192330) is 2-[1-aminoethyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[1-aminoethyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[1-aminoethyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(C)N.
What is the InChIKey of 2-[1-aminoethyl(prop-2-enyl)amino]acetic acid?
The InChIKey is GGWKETASHNLFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-4-9(6(2)8)5-7(10)11/h3,6H,1,4-5,8H2,2H3,(H,10,11).
What are the key properties of 2-[1-aminoethyl(prop-2-enyl)amino]acetic acid?
2-[1-aminoethyl(prop-2-enyl)amino]acetic acid has a molecular weight of 158.20 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-aminoethyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 87192330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).