(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid

C14H19FN2O3 — CID 107566523

IUPAC(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-3-5-12(13(18)19)17-14(20)16-9(2)10-6-4-7-11(15)8-10/h4,6-9,12H,3,5H2,1-2H3,(H,18,19)(H2,16,17,20)/t9?,12-/m1/s1
InChIKeyOBDJPUNRLHVXHH-FFFFSGIJSA-N
MW282.31 g/mol
LogP2.44
Rot. Bonds6

About (2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid

(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid (PubChem CID 107566523) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is (2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid
PubChem CID107566523
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(C)c1cccc(F)c1)C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-3-5-12(13(18)19)17-14(20)16-9(2)10-6-4-7-11(15)8-10/h4,6-9,12H,3,5H2,1-2H3,(H,18,19)(H2,16,17,20)/t9?,12-/m1/s1
InChIKeyOBDJPUNRLHVXHH-FFFFSGIJSA-N
XLogP2.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]pentanoic acid
CID 83041436
(2S)-2-[1-(3-chlorophenyl)ethylcarbamoylamino]pentanoic acid
CID 107566512
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 78972642
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
5-[1-(3-fluorophenyl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 104686420
5-[1-(3-fluorophenyl)ethylcarbamoylamino]hexanoic acid
CID 82846759
2-(1-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61197706
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81365967
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
2-acetamido-3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propanoic acid
CID 81365356
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid (CID 107566523) is (2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC(C)c1cccc(F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is OBDJPUNRLHVXHH-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-3-5-12(13(18)19)17-14(20)16-9(2)10-6-4-7-11(15)8-10/h4,6-9,12H,3,5H2,1-2H3,(H,18,19)(H2,16,17,20)/t9?,12-/m1/s1.
What are the key properties of (2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid?
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 282.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107566523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).