2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid

C7H15N3O2 — CID 87168009

IUPAC2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)CC(N)N
InChIInChI=1S/C7H15N3O2/c1-2-3-10(4-6(8)9)5-7(11)12/h2,6H,1,3-5,8-9H2,(H,11,12)
InChIKeyCQYUCZMNCAMLOO-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.20
Rot. Bonds6

About 2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid

2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid (PubChem CID 87168009) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid
PubChem CID87168009
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)CC(N)N
InChIInChI=1S/C7H15N3O2/c1-2-3-10(4-6(8)9)5-7(11)12/h2,6H,1,3-5,8-9H2,(H,11,12)
InChIKeyCQYUCZMNCAMLOO-UHFFFAOYSA-N
XLogP-1.20
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-Allylglycine
CID 76651
Allylglycin-hydrobromid
CID 129648695
Carboxymethyl(prop-2-enyl)azanium
CID 134844890
2-(Allylamino)acetic acid hydrochloride
CID 19364742
2-[(2-Aminoacetyl)-prop-2-enylamino]acetic acid
CID 79261877
2-[3-Aminopropyl(prop-2-enyl)amino]acetic acid
CID 79275902
2-[2-Aminoethyl(prop-2-enyl)amino]acetic acid
CID 79276204
2-[(2-Amino-2-oxoethyl)-prop-2-enylamino]acetic acid
CID 79277590
N,N-bis(prop-2-enyl)prop-2-en-1-amine;2-(prop-2-enylamino)acetic acid
CID 87105461
2-[2-(Prop-2-enylamino)ethylamino]acetic acid;hydrochloride
CID 87106822
2-[2-(Prop-2-enylamino)ethylamino]acetic acid
CID 87106823
2-(1-Aminoprop-2-enylamino)acetic acid
CID 87112498

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid (CID 87168009) is 2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)CC(N)N.
What is the InChIKey of 2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid?
The InChIKey is CQYUCZMNCAMLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-2-3-10(4-6(8)9)5-7(11)12/h2,6H,1,3-5,8-9H2,(H,11,12).
What are the key properties of 2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid?
2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid has a molecular weight of 173.22 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-diaminoethyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 87168009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).