2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid

C17H25N3O4 — CID 129323811

IUPAC2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
SMILESC[C@@]1(NCC(=O)O)CCN(CC(=O)NCCOc2ccccc2)C1
InChIInChI=1S/C17H25N3O4/c1-17(19-11-16(22)23)7-9-20(13-17)12-15(21)18-8-10-24-14-5-3-2-4-6-14/h2-6,19H,7-13H2,1H3,(H,18,21)(H,22,23)/t17-/m1/s1
InChIKeyFNZGZWSVJVWHKI-QGZVFWFLSA-N
MW335.40 g/mol
LogP0.32
Rot. Bonds9

About 2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid

2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid (PubChem CID 129323811) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
PubChem CID129323811
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid
SMILESC[C@@]1(NCC(=O)O)CCN(CC(=O)NCCOc2ccccc2)C1
InChIInChI=1S/C17H25N3O4/c1-17(19-11-16(22)23)7-9-20(13-17)12-15(21)18-8-10-24-14-5-3-2-4-6-14/h2-6,19H,7-13H2,1H3,(H,18,21)(H,22,23)/t17-/m1/s1
InChIKeyFNZGZWSVJVWHKI-QGZVFWFLSA-N
XLogP0.32
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3S)-3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]amino]acetic acid
CID 129324019
2-[[(3S)-3-methyl-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid
CID 129325168
2-[[1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-3-methylpyrrolidin-3-yl]amino]acetic acid
CID 128970407
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60537932
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 81493988
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide
CID 120771441
1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63030488
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119905333
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 38125172
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 120663762

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid?
The IUPAC name of 2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid (CID 129323811) is 2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid is C[C@@]1(NCC(=O)O)CCN(CC(=O)NCCOc2ccccc2)C1.
What is the InChIKey of 2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid?
The InChIKey is FNZGZWSVJVWHKI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-17(19-11-16(22)23)7-9-20(13-17)12-15(21)18-8-10-24-14-5-3-2-4-6-14/h2-6,19H,7-13H2,1H3,(H,18,21)(H,22,23)/t17-/m1/s1.
What are the key properties of 2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid?
2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid has a molecular weight of 335.40 g/mol, XLogP of 0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-methyl-1-[2-oxo-2-(2-phenoxyethylamino)ethyl]pyrrolidin-3-yl]amino]acetic acid is sourced from PubChem (CID 129323811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).