(2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid

C5H9FN2O3 — CID 87214948

IUPAC(2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid
SMILESNC(=O)C(F)C[C@@H](N)C(=O)O
InChIInChI=1S/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)/t2?,3-/m1/s1
InChIKeyPGEYFCBAWGQSGT-ZJRLKYRESA-N
MW164.14 g/mol
LogP-1.39
Rot. Bonds4

About (2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid

(2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid (PubChem CID 87214948) has the molecular formula C5H9FN2O3 and a molecular weight of 164.14 g/mol. Its IUPAC name is (2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid
PubChem CID87214948
Molecular FormulaC5H9FN2O3
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name(2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid
SMILESNC(=O)C(F)C[C@@H](N)C(=O)O
InChIInChI=1S/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)/t2?,3-/m1/s1
InChIKeyPGEYFCBAWGQSGT-ZJRLKYRESA-N
XLogP-1.39
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4,4-difluorobutanoic acid;hydrochloride
CID 87593555
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589
(2R)-2,5-diamino-4-methyl-5-oxopentanoic acid
CID 87695522
2,5-diamino-4-methyl-5-oxopentanoic acid
CID 19418247
2,4,6-triaminoheptanedioic acid
CID 71362819
(2S)-2-amino-4-fluoro-5-methylhexanoic acid
CID 45082488
2-aminobutanedioic acid;carbamic acid
CID 87364941
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
(2S)-2-amino-4-(114C)methyl(514C)pentanoic acid
CID 10240856
bis(2,4-diamino-4-oxobutanoic acid);palladium
CID 3531876
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid?
The IUPAC name of (2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid (CID 87214948) is (2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid?
The canonical SMILES for (2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid is NC(=O)C(F)C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid?
The InChIKey is PGEYFCBAWGQSGT-ZJRLKYRESA-N. The full InChI is InChI=1S/C5H9FN2O3/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H2,8,9)(H,10,11)/t2?,3-/m1/s1.
What are the key properties of (2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid?
(2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid has a molecular weight of 164.14 g/mol, XLogP of -1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-diamino-4-fluoro-5-oxopentanoic acid is sourced from PubChem (CID 87214948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).