2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid

C14H18F2N2O2 — CID 83981645

IUPAC2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid
SMILESCCNC(C(=O)O)C1CCN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H18F2N2O2/c1-2-17-13(14(19)20)9-5-6-18(8-9)10-3-4-11(15)12(16)7-10/h3-4,7,9,13,17H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyMQNKPVMNQXGVFH-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.85
Rot. Bonds5

About 2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid

2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid (PubChem CID 83981645) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid
PubChem CID83981645
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid
SMILESCCNC(C(=O)O)C1CCN(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H18F2N2O2/c1-2-17-13(14(19)20)9-5-6-18(8-9)10-3-4-11(15)12(16)7-10/h3-4,7,9,13,17H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyMQNKPVMNQXGVFH-UHFFFAOYSA-N
XLogP1.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid
CID 83981643
1-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]propan-1-one
CID 83981617
methyl 2-amino-3-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]propanoate
CID 83981608
methyl 3-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]propanoate
CID 83981606
3-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methylamino]-2-methylbutan-2-ol
CID 138006399
N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-(methylamino)acetamide
CID 100647189
ethane;methyl 1-(3,4-difluorophenyl)piperidine-4-carboxylate
CID 144968521
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]hexanoic acid
CID 142749397
4-bromo-N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562602
1-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 111180019
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 95290703

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid?
The IUPAC name of 2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid (CID 83981645) is 2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid is CCNC(C(=O)O)C1CCN(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid?
The InChIKey is MQNKPVMNQXGVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-2-17-13(14(19)20)9-5-6-18(8-9)10-3-4-11(15)12(16)7-10/h3-4,7,9,13,17H,2,5-6,8H2,1H3,(H,19,20).
What are the key properties of 2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid?
2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid has a molecular weight of 284.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(ethylamino)acetic acid is sourced from PubChem (CID 83981645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).