3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid

C11H18N2O3 — CID 60838692

IUPAC3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
SMILESC=CCNC(=O)CN(CCC(=O)O)C1CC1
InChIInChI=1S/C11H18N2O3/c1-2-6-12-10(14)8-13(9-3-4-9)7-5-11(15)16/h2,9H,1,3-8H2,(H,12,14)(H,15,16)
InChIKeyFTEHQLZRFVMVMP-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.23
Rot. Bonds8

About 3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid

3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid (PubChem CID 60838692) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
PubChem CID60838692
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
SMILESC=CCNC(=O)CN(CCC(=O)O)C1CC1
InChIInChI=1S/C11H18N2O3/c1-2-6-12-10(14)8-13(9-3-4-9)7-5-11(15)16/h2,9H,1,3-8H2,(H,12,14)(H,15,16)
InChIKeyFTEHQLZRFVMVMP-UHFFFAOYSA-N
XLogP0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
CID 59882216
3-Aminopropanoic acid;2-(prop-2-enylamino)propanamide
CID 87492445
3-Aminopropanoic acid;2-(prop-2-enylamino)acetamide
CID 87493983
3-[2-(2-Aminopropylamino)propyl-prop-2-enylamino]propanoic acid
CID 88654556
1-[[[2-(2,5-Dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 145215722
2-(Methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
CID 21301390
3-[4-[2-Oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanoic acid
CID 43397032
2-[Methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetic acid
CID 43442217
3-[[2-[[2-(Cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466279
3-[[2-[Cyclopropyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466497
3-[[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466541
3-[[2-[Ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 43466615

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid (CID 60838692) is 3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid is C=CCNC(=O)CN(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
The InChIKey is FTEHQLZRFVMVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-6-12-10(14)8-13(9-3-4-9)7-5-11(15)16/h2,9H,1,3-8H2,(H,12,14)(H,15,16).
What are the key properties of 3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 60838692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).