(2R,3S)-2-azaniumyl-3-hydroxypentanoate

C5H11NO3 — CID 86308698

IUPAC(2R,3S)-2-azaniumyl-3-hydroxypentanoate
SMILESCC[C@H](O)[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m0/s1
InChIKeyLGVJIYCMHMKTPB-IUYQGCFVSA-N
MW133.15 g/mol
LogP-2.88
Rot. Bonds3

About (2R,3S)-2-azaniumyl-3-hydroxypentanoate

(2R,3S)-2-azaniumyl-3-hydroxypentanoate (PubChem CID 86308698) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (2R,3S)-2-azaniumyl-3-hydroxypentanoate.

Molecular Properties

Compound Name(2R,3S)-2-azaniumyl-3-hydroxypentanoate
PubChem CID86308698
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name(2R,3S)-2-azaniumyl-3-hydroxypentanoate
SMILESCC[C@H](O)[C@@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m0/s1
InChIKeyLGVJIYCMHMKTPB-IUYQGCFVSA-N
XLogP-2.88
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-2.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-azaniumyl-3-hydroxynonanoate
CID 7356892
2-azaniumyl-3-hydroxybutanoate
CID 15341575
(2R,3S)-2-azaniumyl-3-hydroxybutanoate
CID 6995277
(2S,3S)-2,6-bis(azaniumyl)-3-hydroxyhexanoate
CID 86289230
(2R)-2-azaniumyl-3-methylbutanoate
CID 6971095
(2R,3S,4R)-2-azaniumyl-4-hydroxy-3-methylpentanoate
CID 26082623
6-azaniumyl-7-hydroxynon-3-ynoate
CID 169196237
(3S)-3-azaniumylpentanoate
CID 25417383
tris(2-ethylbutanoate);niobium(3+)
CID 173096666
2-methylbutanoate
CID 91073357
magnesium 2-ethylpropanedioate
CID 22261989
lithium 2-ethylbutanoate
CID 23681528

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-azaniumyl-3-hydroxypentanoate?
The IUPAC name of (2R,3S)-2-azaniumyl-3-hydroxypentanoate (CID 86308698) is (2R,3S)-2-azaniumyl-3-hydroxypentanoate.
What is the SMILES notation for (2R,3S)-2-azaniumyl-3-hydroxypentanoate?
The canonical SMILES for (2R,3S)-2-azaniumyl-3-hydroxypentanoate is CC[C@H](O)[C@@H]([NH3+])C(=O)[O-].
What is the InChIKey of (2R,3S)-2-azaniumyl-3-hydroxypentanoate?
The InChIKey is LGVJIYCMHMKTPB-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9)/t3-,4+/m0/s1.
What are the key properties of (2R,3S)-2-azaniumyl-3-hydroxypentanoate?
(2R,3S)-2-azaniumyl-3-hydroxypentanoate has a molecular weight of 133.15 g/mol, XLogP of -2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-azaniumyl-3-hydroxypentanoate is sourced from PubChem (CID 86308698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).