2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid

C11H20N2O3 — CID 103802876

IUPAC2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid
SMILESC=CCCC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-5-6-10(14)13(9-11(15)16)8-7-12(2)3/h4H,1,5-9H2,2-3H3,(H,15,16)
InChIKeyOPZDAFRAINMLDC-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.43
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid

2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid (PubChem CID 103802876) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid
PubChem CID103802876
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid
SMILESC=CCCC(=O)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-5-6-10(14)13(9-11(15)16)8-7-12(2)3/h4H,1,5-9H2,2-3H3,(H,15,16)
InChIKeyOPZDAFRAINMLDC-UHFFFAOYSA-N
XLogP0.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
2-[pent-4-enoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79260507
N-ethyl-N-(2-hydroxyethyl)pent-4-enamide
CID 62678717
N,N-dimethylpent-4-enamide
CID 13308678
2-[[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276660
2-[(3,5-dimethoxyphenyl)methyl-pent-4-enoylamino]acetic acid
CID 119197558
2-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136574179
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484
2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
CID 103802734
N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480
2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid
CID 103802618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid (CID 103802876) is 2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid is C=CCCC(=O)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid?
The InChIKey is OPZDAFRAINMLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-5-6-10(14)13(9-11(15)16)8-7-12(2)3/h4H,1,5-9H2,2-3H3,(H,15,16).
What are the key properties of 2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid?
2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-pent-4-enoylamino]acetic acid is sourced from PubChem (CID 103802876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).