2-(1-aminoprop-2-enylamino)acetic acid

C5H10N2O2 — CID 87112498

IUPAC2-(1-aminoprop-2-enylamino)acetic acid
SMILESC=CC(N)NCC(=O)O
InChIInChI=1S/C5H10N2O2/c1-2-4(6)7-3-5(8)9/h2,4,7H,1,3,6H2,(H,8,9)
InChIKeyWDCTXNNSNMMCST-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.87
Rot. Bonds4

About 2-(1-aminoprop-2-enylamino)acetic acid

2-(1-aminoprop-2-enylamino)acetic acid (PubChem CID 87112498) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-(1-aminoprop-2-enylamino)acetic acid.

Molecular Properties

Compound Name2-(1-aminoprop-2-enylamino)acetic acid
PubChem CID87112498
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name2-(1-aminoprop-2-enylamino)acetic acid
SMILESC=CC(N)NCC(=O)O
InChIInChI=1S/C5H10N2O2/c1-2-4(6)7-3-5(8)9/h2,4,7H,1,3,6H2,(H,8,9)
InChIKeyWDCTXNNSNMMCST-UHFFFAOYSA-N
XLogP-0.87
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
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

N-Allylglycine
CID 76651
CID 36690796
CID 36690796
N-But-2-en-1-ylglycine
CID 53407996
cis-Crotylglycine
CID 87168838
Allylglycin-hydrobromid
CID 129648695
Carboxymethyl(prop-2-enyl)azanium
CID 134844890
1,2,3,4-Tetrahydropyrimidine-2-carboxylic acid
CID 17991609
2-(Allylamino)acetic acid hydrochloride
CID 19364742
2-[[(E)-but-2-enyl]amino]acetic acid;hydrochloride
CID 19364761
Crotyl glycine
CID 19364762
Potassium 2-(prop-2-enylamino)acetate
CID 23664258
1,2,3,4-Tetrahydropyrimidine-2-carboxylic acid;hydrate
CID 68870094

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoprop-2-enylamino)acetic acid?
The IUPAC name of 2-(1-aminoprop-2-enylamino)acetic acid (CID 87112498) is 2-(1-aminoprop-2-enylamino)acetic acid.
What is the SMILES notation for 2-(1-aminoprop-2-enylamino)acetic acid?
The canonical SMILES for 2-(1-aminoprop-2-enylamino)acetic acid is C=CC(N)NCC(=O)O.
What is the InChIKey of 2-(1-aminoprop-2-enylamino)acetic acid?
The InChIKey is WDCTXNNSNMMCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-2-4(6)7-3-5(8)9/h2,4,7H,1,3,6H2,(H,8,9).
What are the key properties of 2-(1-aminoprop-2-enylamino)acetic acid?
2-(1-aminoprop-2-enylamino)acetic acid has a molecular weight of 130.15 g/mol, XLogP of -0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoprop-2-enylamino)acetic acid is sourced from PubChem (CID 87112498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).