2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid

C16H21FN2O4 — CID 122100687

IUPAC2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CC(=O)NCCOc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H21FN2O4/c1-11(16(21)22)19(13-5-6-13)10-15(20)18-7-8-23-14-4-2-3-12(17)9-14/h2-4,9,11,13H,5-8,10H2,1H3,(H,18,20)(H,21,22)
InChIKeyZBOUAYYQRIVBKF-UHFFFAOYSA-N
MW324.35 g/mol
LogP1.26
Rot. Bonds9

About 2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid

2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid (PubChem CID 122100687) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid
PubChem CID122100687
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Name2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid
SMILESCC(C(=O)O)N(CC(=O)NCCOc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H21FN2O4/c1-11(16(21)22)19(13-5-6-13)10-15(20)18-7-8-23-14-4-2-3-12(17)9-14/h2-4,9,11,13H,5-8,10H2,1H3,(H,18,20)(H,21,22)
InChIKeyZBOUAYYQRIVBKF-UHFFFAOYSA-N
XLogP1.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic 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

2-[methyl-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]amino]propanoic acid
CID 119912627
2-[cyclopropyl-[2-(3,3-diphenylpropylamino)-2-oxoethyl]amino]propanoic acid
CID 122100872
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
2-[cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100783
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylpentanamide
CID 110482529
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
CID 110481408
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100801
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 55706851
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908348

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid (CID 122100687) is 2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid is CC(C(=O)O)N(CC(=O)NCCOc1cccc(F)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is ZBOUAYYQRIVBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-11(16(21)22)19(13-5-6-13)10-15(20)18-7-8-23-14-4-2-3-12(17)9-14/h2-4,9,11,13H,5-8,10H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid?
2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 324.35 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 122100687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).