3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid

C11H18N2O3 — CID 43466541

IUPAC3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESC=CCN(CC=C)C(=O)CNCCC(=O)O
InChIInChI=1S/C11H18N2O3/c1-3-7-13(8-4-2)10(14)9-12-6-5-11(15)16/h3-4,12H,1-2,5-9H2,(H,15,16)
InChIKeyHCPSQDYUFFOADB-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.25
Rot. Bonds9

About 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid

3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 43466541) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID43466541
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESC=CCN(CC=C)C(=O)CNCCC(=O)O
InChIInChI=1S/C11H18N2O3/c1-3-7-13(8-4-2)10(14)9-12-6-5-11(15)16/h3-4,12H,1-2,5-9H2,(H,15,16)
InChIKeyHCPSQDYUFFOADB-UHFFFAOYSA-N
XLogP0.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
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

3-[(3-Acrylamidopropyl)dimethylammonio]propanoate, inverted exclamation markO95%
CID 12851416
2-Carboxyethyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 22178958
(2S)-2-(methylamino)-3-[methyl(prop-2-enyl)amino]propanoic acid
CID 59882216
N-[3-(carboxymethyldimethylamino) propyl]acrylamide
CID 86716461
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
3-[Carboxymethyl-[2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 87994891
3-[Methyl-[2-(2-methylprop-2-enoylamino)ethyl]amino]propanoic acid
CID 117723170
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
3-[[2-Methyl-2-(prop-2-enoylamino)propanoyl]amino]propanoic acid
CID 134329095

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid (CID 43466541) is 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid is C=CCN(CC=C)C(=O)CNCCC(=O)O.
What is the InChIKey of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is HCPSQDYUFFOADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-7-13(8-4-2)10(14)9-12-6-5-11(15)16/h3-4,12H,1-2,5-9H2,(H,15,16).
What are the key properties of 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid?
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 43466541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).