(2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid

C14H18FNO3 — CID 93252359

IUPAC(2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CCc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-2-3-12(14(18)19)16-13(17)9-6-10-4-7-11(15)8-5-10/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyDUVBLESRLMQGHD-GFCCVEGCSA-N
MW267.30 g/mol
LogP2.13
Rot. Bonds7

About (2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid

(2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid (PubChem CID 93252359) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid
PubChem CID93252359
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)CCc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-2-3-12(14(18)19)16-13(17)9-6-10-4-7-11(15)8-5-10/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyDUVBLESRLMQGHD-GFCCVEGCSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743
2-[3-(4-fluorophenyl)propanoylamino]-4-methylpentanoic acid
CID 43092855
(2S)-2-[3-(4-methylphenyl)propanoylamino]hexanoic acid
CID 107143935
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
(2S)-2-[3-(3,4-difluorophenyl)propanoylamino]hexanoic acid
CID 107144250
2-[4-(3,4-difluorophenyl)butanoylamino]pentanoic acid
CID 82224521
2-[3-(3-aminophenyl)propanoylamino]pentanoic acid
CID 115341301
(2S)-2-(8-phenyloctanoylamino)pentanoic acid
CID 67898131
2-[4-(4-fluorophenyl)butanoylamino]butanedioic acid
CID 82224351
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
(2R)-4-hydroxy-2-[3-(4-methylphenyl)propanoylamino]butanoic acid
CID 107823303
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid (CID 93252359) is (2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid is CCC[C@@H](NC(=O)CCc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid?
The InChIKey is DUVBLESRLMQGHD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-3-12(14(18)19)16-13(17)9-6-10-4-7-11(15)8-5-10/h4-5,7-8,12H,2-3,6,9H2,1H3,(H,16,17)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid?
(2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid is sourced from PubChem (CID 93252359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).