2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid

C17H24FN3O3 — CID 122087509

IUPAC2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCc1ccc(NC(=O)NC2CC(N(CC)CC(=O)O)C2)cc1F
InChIInChI=1S/C17H24FN3O3/c1-3-11-5-6-12(9-15(11)18)19-17(24)20-13-7-14(8-13)21(4-2)10-16(22)23/h5-6,9,13-14H,3-4,7-8,10H2,1-2H3,(H,22,23)(H2,19,20,24)
InChIKeyLDTWIELVHLEHAI-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.45
Rot. Bonds7

About 2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122087509) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122087509
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCc1ccc(NC(=O)NC2CC(N(CC)CC(=O)O)C2)cc1F
InChIInChI=1S/C17H24FN3O3/c1-3-11-5-6-12(9-15(11)18)19-17(24)20-13-7-14(8-13)21(4-2)10-16(22)23/h5-6,9,13-14H,3-4,7-8,10H2,1-2H3,(H,22,23)(H2,19,20,24)
InChIKeyLDTWIELVHLEHAI-UHFFFAOYSA-N
XLogP2.45
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[3-[(4-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073470
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
2-[[3-(1-benzofuran-6-ylcarbamoylamino)cyclobutyl]-ethylamino]acetic acid
CID 122094518
2-[ethyl-[3-[(3-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073438
2-[ethyl-[3-[(3-methoxy-4-methoxycarbonylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092361
2-[ethyl-[3-[(2,3,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122094164
2-[cyclopropylmethyl-[3-[(4-ethoxy-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122077250
2-[ethyl-[3-[(2-methyl-1-oxoisoquinolin-7-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122093141
2-[ethyl-[3-[(3-methoxy-4-propan-2-yloxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122090122
2-[[3-[[2-(difluoromethyl)-1,3-benzothiazol-6-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122093363
2-[[3-[[4-(tert-butylcarbamoyl)phenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122075351
2-[[3-[[3-chloro-4-(2-methoxyethoxy)phenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122077416

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122087509) is 2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid is CCc1ccc(NC(=O)NC2CC(N(CC)CC(=O)O)C2)cc1F.
What is the InChIKey of 2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is LDTWIELVHLEHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-3-11-5-6-12(9-15(11)18)19-17(24)20-13-7-14(8-13)21(4-2)10-16(22)23/h5-6,9,13-14H,3-4,7-8,10H2,1-2H3,(H,22,23)(H2,19,20,24).
What are the key properties of 2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 337.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122087509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).