(2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid

C13H15FN2O5 — CID 107829798

IUPAC(2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)COc1ccccc1F)C(=O)O
InChIInChI=1S/C13H15FN2O5/c14-8-3-1-2-4-10(8)21-7-12(18)16-9(13(19)20)5-6-11(15)17/h1-4,9H,5-7H2,(H2,15,17)(H,16,18)(H,19,20)/t9-/m1/s1
InChIKeyDXOHRBGNLBGYDY-SECBINFHSA-N
MW298.27 g/mol
LogP0.04
Rot. Bonds8

About (2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid

(2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid (PubChem CID 107829798) has the molecular formula C13H15FN2O5 and a molecular weight of 298.27 g/mol. Its IUPAC name is (2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
PubChem CID107829798
Molecular FormulaC13H15FN2O5
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name(2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)COc1ccccc1F)C(=O)O
InChIInChI=1S/C13H15FN2O5/c14-8-3-1-2-4-10(8)21-7-12(18)16-9(13(19)20)5-6-11(15)17/h1-4,9H,5-7H2,(H2,15,17)(H,16,18)(H,19,20)/t9-/m1/s1
InChIKeyDXOHRBGNLBGYDY-SECBINFHSA-N
XLogP0.04
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
CID 61145013
2-[[2-(2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 78910308
2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077110
(2S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307164
(2S)-2-[3-(2-fluorophenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107822360
(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 107829710
methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate
CID 43404277
(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107822898
CID 68604008
CID 68604008
(2S,3S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61131464
(2R)-2-[[2-(2-ethoxyphenoxy)acetyl]amino]pentanoic acid
CID 107563000
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid (CID 107829798) is (2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)COc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is DXOHRBGNLBGYDY-SECBINFHSA-N. The full InChI is InChI=1S/C13H15FN2O5/c14-8-3-1-2-4-10(8)21-7-12(18)16-9(13(19)20)5-6-11(15)17/h1-4,9H,5-7H2,(H2,15,17)(H,16,18)(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 298.27 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 107829798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).