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

C8H14N2O3 — CID 43466669

IUPAC3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
SMILESC=CCNC(=O)CNCCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-2-4-10-7(11)6-9-5-3-8(12)13/h2,9H,1,3-6H2,(H,10,11)(H,12,13)
InChIKeyRMCSFKVOUSOONC-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.65
Rot. Bonds7

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

3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid (PubChem CID 43466669) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
PubChem CID43466669
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
SMILESC=CCNC(=O)CNCCC(=O)O
InChIInChI=1S/C8H14N2O3/c1-2-4-10-7(11)6-9-5-3-8(12)13/h2,9H,1,3-6H2,(H,10,11)(H,12,13)
InChIKeyRMCSFKVOUSOONC-UHFFFAOYSA-N
XLogP-0.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-N'-(prop-2-en-1-yl)ethanediamide
CID 3099196
3-Aminopropanoic acid;2-(prop-2-enylamino)propanamide
CID 87492445
3-Aminopropanoic acid;3-(prop-2-enylamino)propanamide
CID 87493085
3-Aminopropanoic acid;2-(prop-2-enylamino)acetamide
CID 87493983
2-Amino-3-(prop-2-enoylamino)propanoic acid
CID 88297063
3-(2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetamido)propanoic acid
CID 121412820
3-[2-(Prop-2-enoylamino)ethylamino]propanoic acid
CID 124175256
(2S)-2-amino-3-(prop-2-enoylamino)propanoic acid
CID 131229164
3-[[2-Methyl-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 134329095
2-(Carboxymethylamino)-3-(prop-2-enoylamino)propanoic acid
CID 149613014
3-[2-[[(Z)-but-2-enoyl]amino]ethylamino]propanoic acid
CID 157020825
3-[2-(Ethenylamino)prop-2-enoylamino]propanoic acid
CID 161955294

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid (CID 43466669) is 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid is C=CCNC(=O)CNCCC(=O)O.
What is the InChIKey of 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
The InChIKey is RMCSFKVOUSOONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-4-10-7(11)6-9-5-3-8(12)13/h2,9H,1,3-6H2,(H,10,11)(H,12,13).
What are the key properties of 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid?
3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 43466669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).