3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid

C15H21FN2O3 — CID 62827671

IUPAC3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
SMILESCCN(C(=O)NCCc1ccccc1F)C(C)CC(=O)O
InChIInChI=1S/C15H21FN2O3/c1-3-18(11(2)10-14(19)20)15(21)17-9-8-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyKPCDNBACZHJQNZ-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.26
Rot. Bonds7

About 3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid

3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid (PubChem CID 62827671) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
PubChem CID62827671
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
SMILESCCN(C(=O)NCCc1ccccc1F)C(C)CC(=O)O
InChIInChI=1S/C15H21FN2O3/c1-3-18(11(2)10-14(19)20)15(21)17-9-8-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyKPCDNBACZHJQNZ-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
3-[(2,5-difluorophenyl)methylcarbamoyl-ethylamino]butanoic acid
CID 63791386
2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
CID 63645252
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
2-[tert-butyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
CID 79263728
3-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]butanoic acid
CID 62822271
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
CID 42928317
1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51324617
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid (CID 62827671) is 3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid is CCN(C(=O)NCCc1ccccc1F)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid?
The InChIKey is KPCDNBACZHJQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-3-18(11(2)10-14(19)20)15(21)17-9-8-12-6-4-5-7-13(12)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid?
3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid has a molecular weight of 296.34 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 62827671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).