5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid

C13H16FNO4 — CID 18466026

IUPAC5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(NC(CCCF)C(=O)O)OCc1ccccc1
InChIInChI=1S/C13H16FNO4/c14-8-4-7-11(12(16)17)15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,18)(H,16,17)
InChIKeyMEIBGLWBUAQGRF-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.12
Rot. Bonds7

About 5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid

5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 18466026) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID18466026
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(NC(CCCF)C(=O)O)OCc1ccccc1
InChIInChI=1S/C13H16FNO4/c14-8-4-7-11(12(16)17)15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,18)(H,16,17)
InChIKeyMEIBGLWBUAQGRF-UHFFFAOYSA-N
XLogP2.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 14075005
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 10819296
4-iodo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 18788291
(2S)-5-(benzylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 18346614
CID 70347109
CID 70347109
(2S)-4-aminooxy-2-(phenylmethoxycarbonylamino)butanoic acid
CID 165477509
5-ethylsulfonyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 103690229
6-ethoxy-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 102124237
4-(methylamino)-2-(phenylmethoxycarbonylamino)butanoic acid
CID 66926655
(2S)-4-(methylamino)-2-(phenylmethoxycarbonylamino)butanoic acid
CID 143421754
benzyl (2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoate
CID 7408212
(2S)-5,5,6,6,6-pentafluoro-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 90115911

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid (CID 18466026) is 5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid is O=C(NC(CCCF)C(=O)O)OCc1ccccc1.
What is the InChIKey of 5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is MEIBGLWBUAQGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c14-8-4-7-11(12(16)17)15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,18)(H,16,17).
What are the key properties of 5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid?
5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 269.27 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 18466026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).