ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate

C14H18FNO3 — CID 81380473

IUPACethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-3-19-14(18)9-8-13(17)16-10(2)11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyVZPBCMJHRVVPBG-SNVBAGLBSA-N
MW267.30 g/mol
LogP2.35
Rot. Bonds6

About ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate

ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate (PubChem CID 81380473) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate
PubChem CID81380473
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nameethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N[C@H](C)c1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-3-19-14(18)9-8-13(17)16-10(2)11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyVZPBCMJHRVVPBG-SNVBAGLBSA-N
XLogP2.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
ethyl 2-[1-(2-fluorophenyl)ethylamino]-2-oxoacetate
CID 54964438
ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 60638891
3-amino-N-[1-(2-fluorophenyl)ethyl]butanamide
CID 60927923
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
ethyl 4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-4-oxobutanoate
CID 81356588
3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 61117007
N-[(1R)-1-(2-fluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 81380845
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81380842
ethyl 4-[[(1S)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoate
CID 81363588
ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate (CID 81380473) is ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)N[C@H](C)c1ccccc1F.
What is the InChIKey of ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate?
The InChIKey is VZPBCMJHRVVPBG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-19-14(18)9-8-13(17)16-10(2)11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate?
ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate has a molecular weight of 267.30 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoate is sourced from PubChem (CID 81380473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).