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

C15H21FN2O3 — CID 62827357

IUPAC3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)N(CC)C(C)CC(=O)O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-4-17(11(3)10-14(19)20)15(21)18(5-2)13-9-7-6-8-12(13)16/h6-9,11H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyNRVXLPROETVUQA-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.96
Rot. Bonds6

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

3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid (PubChem CID 62827357) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid
PubChem CID62827357
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)N(CC)C(C)CC(=O)O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-4-17(11(3)10-14(19)20)15(21)18(5-2)13-9-7-6-8-12(13)16/h6-9,11H,4-5,10H2,1-3H3,(H,19,20)
InChIKeyNRVXLPROETVUQA-UHFFFAOYSA-N
XLogP2.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
3-[ethyl-[2-(2-fluorophenyl)sulfanylacetyl]amino]butanoic acid
CID 62822271
5-[[ethyl-(2-fluorophenyl)carbamoyl]amino]hexanoic acid
CID 82847956
4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide
CID 81087068
2-[2-fluoro-N-(3-methylbutanoyl)anilino]acetic acid
CID 28765412
N-ethyl-N-(2-fluorophenyl)-4-hydroxypentanamide
CID 79192047
3-[ethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]butanoic acid
CID 62827671
5-(N-ethyl-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934429
2-[[[ethyl-(2-fluorophenyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65222142
4-[[ethyl-(2-fluorophenyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80541846
3-amino-N-ethyl-N-(2-fluorophenyl)-2-phenylpropanamide
CID 62877338
2-(N-acetyl-2-fluoroanilino)acetic acid
CID 28765395

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid (CID 62827357) is 3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid is CCN(C(=O)N(CC)C(C)CC(=O)O)c1ccccc1F.
What is the InChIKey of 3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid?
The InChIKey is NRVXLPROETVUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-4-17(11(3)10-14(19)20)15(21)18(5-2)13-9-7-6-8-12(13)16/h6-9,11H,4-5,10H2,1-3H3,(H,19,20).
What are the key properties of 3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid?
3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid has a molecular weight of 296.34 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 62827357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).