2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid

C11H18N2O3 — CID 79262135

IUPAC2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CC1CCNC1
InChIInChI=1S/C11H18N2O3/c1-2-5-13(8-11(15)16)10(14)6-9-3-4-12-7-9/h2,9,12H,1,3-8H2,(H,15,16)
InChIKeySLQPZBYSBGABJY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.09
Rot. Bonds6

About 2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid

2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid (PubChem CID 79262135) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid
PubChem CID79262135
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CC1CCNC1
InChIInChI=1S/C11H18N2O3/c1-2-5-13(8-11(15)16)10(14)6-9-3-4-12-7-9/h2,9,12H,1,3-8H2,(H,15,16)
InChIKeySLQPZBYSBGABJY-UHFFFAOYSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.09
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

2-[carboxymethyl-(2-piperidin-3-ylacetyl)amino]acetic acid
CID 63645070
2-[piperidine-3-carbonyl(prop-2-enyl)amino]acetic acid
CID 79265013
2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid
CID 62675285
2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid
CID 81043537
N-(2-methoxyethyl)-2-piperidin-3-yl-N-prop-2-enylacetamide
CID 103338928
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
1-[(3S)-pyrrolidin-3-yl]pent-4-en-2-one
CID 146425669
1-pyrrolidin-3-ylpent-4-en-2-one
CID 116583305
2-[[cyclopropylmethyl(methyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 79276638
2-[2-(azetidin-3-yl)propanoyl-prop-2-enylamino]acetic acid
CID 116678360
2-[bis(2-amino-2-oxoethyl)carbamoyl-prop-2-enylamino]acetic acid
CID 79285413
2-[butanoyl(prop-2-enyl)amino]acetic acid
CID 79257484

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid (CID 79262135) is 2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)CC1CCNC1.
What is the InChIKey of 2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid?
The InChIKey is SLQPZBYSBGABJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-5-13(8-11(15)16)10(14)6-9-3-4-12-7-9/h2,9,12H,1,3-8H2,(H,15,16).
What are the key properties of 2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid?
2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid has a molecular weight of 226.28 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid is sourced from PubChem (CID 79262135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).