2-[prop-2-enyl(propylamino)amino]acetic acid

C8H16N2O2 — CID 174797224

IUPAC2-[prop-2-enyl(propylamino)amino]acetic acid
SMILESC=CCN(CC(=O)O)NCCC
InChIInChI=1S/C8H16N2O2/c1-3-5-9-10(6-4-2)7-8(11)12/h4,9H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyGUMLUBPXMLTHPQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.47
Rot. Bonds7

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

2-[prop-2-enyl(propylamino)amino]acetic acid (PubChem CID 174797224) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[prop-2-enyl(propylamino)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl(propylamino)amino]acetic acid
PubChem CID174797224
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[prop-2-enyl(propylamino)amino]acetic acid
SMILESC=CCN(CC(=O)O)NCCC
InChIInChI=1S/C8H16N2O2/c1-3-5-9-10(6-4-2)7-8(11)12/h4,9H,2-3,5-7H2,1H3,(H,11,12)
InChIKeyGUMLUBPXMLTHPQ-UHFFFAOYSA-N
XLogP0.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(carbamoylamino)-prop-2-enylamino]acetic acid
CID 173292700
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-[octacosyl-(pentylamino)amino]acetic acid
CID 174923195
sodium;2-[(dodecylamino)-ethylamino]acetic acid;hydride
CID 173013848
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276905
2-[dodecanoyl(prop-2-enyl)amino]acetic acid
CID 79264275
2-[pentan-3-ylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79276869
2-[2-ethylbutanoyl(prop-2-enyl)amino]acetic acid
CID 79265150
2-[cyclopropylsulfamoyl(prop-2-enyl)amino]acetic acid
CID 114533578
2-[[(2S)-2-aminopentanoyl]-prop-2-enylamino]acetic acid
CID 107570062
2-[2-methylpentan-3-yl(prop-2-enyl)amino]acetic acid
CID 79285638

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl(propylamino)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl(propylamino)amino]acetic acid (CID 174797224) is 2-[prop-2-enyl(propylamino)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl(propylamino)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl(propylamino)amino]acetic acid is C=CCN(CC(=O)O)NCCC.
What is the InChIKey of 2-[prop-2-enyl(propylamino)amino]acetic acid?
The InChIKey is GUMLUBPXMLTHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-5-9-10(6-4-2)7-8(11)12/h4,9H,2-3,5-7H2,1H3,(H,11,12).
What are the key properties of 2-[prop-2-enyl(propylamino)amino]acetic acid?
2-[prop-2-enyl(propylamino)amino]acetic acid has a molecular weight of 172.23 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(propylamino)amino]acetic acid is sourced from PubChem (CID 174797224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).