2-(prop-2-enylamino)acetic acid;hydrochloride

C5H10ClNO2 — CID 19364742

IUPAC2-(prop-2-enylamino)acetic acid;hydrochloride
SMILESC=CCNCC(=O)O.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-2-3-6-4-5(7)8;/h2,6H,1,3-4H2,(H,7,8);1H
InChIKeyAXXSLEVFYRBHPI-UHFFFAOYSA-N
MW151.59 g/mol
LogP0.27
Rot. Bonds4

About 2-(prop-2-enylamino)acetic acid;hydrochloride

2-(prop-2-enylamino)acetic acid;hydrochloride (PubChem CID 19364742) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 2-(prop-2-enylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(prop-2-enylamino)acetic acid;hydrochloride
PubChem CID19364742
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name2-(prop-2-enylamino)acetic acid;hydrochloride
SMILESC=CCNCC(=O)O.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-2-3-6-4-5(7)8;/h2,6H,1,3-4H2,(H,7,8);1H
InChIKeyAXXSLEVFYRBHPI-UHFFFAOYSA-N
XLogP0.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.27
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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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)acetic acid;hydrochloride?
The IUPAC name of 2-(prop-2-enylamino)acetic acid;hydrochloride (CID 19364742) is 2-(prop-2-enylamino)acetic acid;hydrochloride.
What is the SMILES notation for 2-(prop-2-enylamino)acetic acid;hydrochloride?
The canonical SMILES for 2-(prop-2-enylamino)acetic acid;hydrochloride is C=CCNCC(=O)O.Cl.
What is the InChIKey of 2-(prop-2-enylamino)acetic acid;hydrochloride?
The InChIKey is AXXSLEVFYRBHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c1-2-3-6-4-5(7)8;/h2,6H,1,3-4H2,(H,7,8);1H.
What are the key properties of 2-(prop-2-enylamino)acetic acid;hydrochloride?
2-(prop-2-enylamino)acetic acid;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)acetic acid;hydrochloride is sourced from PubChem (CID 19364742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).