2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid

C20H28FN3O3 — CID 122026790

IUPAC2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCCC2Cc2cccc(F)c2)C1
InChIInChI=1S/C20H28FN3O3/c1-2-23(13-19(25)26)18-11-16(12-18)22-20(27)24-8-4-7-17(24)10-14-5-3-6-15(21)9-14/h3,5-6,9,16-18H,2,4,7-8,10-13H2,1H3,(H,22,27)(H,25,26)
InChIKeyCEGYTFPARJTQSP-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.48
Rot. Bonds7

About 2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122026790) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
PubChem CID122026790
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N2CCCC2Cc2cccc(F)c2)C1
InChIInChI=1S/C20H28FN3O3/c1-2-23(13-19(25)26)18-11-16(12-18)22-20(27)24-8-4-7-17(24)10-14-5-3-6-15(21)9-14/h3,5-6,9,16-18H,2,4,7-8,10-13H2,1H3,(H,22,27)(H,25,26)
InChIKeyCEGYTFPARJTQSP-UHFFFAOYSA-N
XLogP2.48
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026887
2-[ethyl-[3-[[2-(3-fluorophenyl)-3-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026347
2-[ethyl-[3-[[3-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026005
2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026142
3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019188
2-[ethyl-[3-[[1-(3-fluorophenyl)propan-2-yl-methylcarbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026375
2-[ethyl-[3-[(2-phenylpiperidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025635
4-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021427
2-[ethyl-[3-[(8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122009201
2-[ethyl-[3-[[4-(2-phenylethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026996
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
2-[ethyl-[3-(2,4,5,6-tetrahydro-1H-3-benzazocine-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 122026459

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid (CID 122026790) is 2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N2CCCC2Cc2cccc(F)c2)C1.
What is the InChIKey of 2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is CEGYTFPARJTQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-2-23(13-19(25)26)18-11-16(12-18)22-20(27)24-8-4-7-17(24)10-14-5-3-6-15(21)9-14/h3,5-6,9,16-18H,2,4,7-8,10-13H2,1H3,(H,22,27)(H,25,26).
What are the key properties of 2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 377.46 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122026790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).