(2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate

C5H9NO4 — CID 139054390

IUPAC(2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate
SMILES[NH3+][C@H](CCC(=O)O)C(=O)[O-]
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyWHUUTDBJXJRKMK-GSVOUGTGSA-N
MW147.13 g/mol
LogP-2.79
Rot. Bonds4

About (2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate

(2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate (PubChem CID 139054390) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate
PubChem CID139054390
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate
SMILES[NH3+][C@H](CCC(=O)O)C(=O)[O-]
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKeyWHUUTDBJXJRKMK-GSVOUGTGSA-N
XLogP-2.79
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-2.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

L-Glutamic Acid
CID 33032
D-Glutamic Acid
CID 23327
DL-Glutamic acid
CID 611
Glutamic Acid Hydrochloride
CID 2723891
Monosodium Glutamate
CID 23689119
Sodium Glutamate
CID 23672308
L-Norvaline
CID 65098
Glutamate(2-)
CID 5128032
N-methyl-L-glutamic acid
CID 439377
D-Norvaline
CID 439575
Monopotassium glutamate
CID 23695977
Glutamate(1-)
CID 4525487

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate?
The IUPAC name of (2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate (CID 139054390) is (2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate.
What is the SMILES notation for (2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate?
The canonical SMILES for (2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate is [NH3+][C@H](CCC(=O)O)C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate?
The InChIKey is WHUUTDBJXJRKMK-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate?
(2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate has a molecular weight of 147.13 g/mol, XLogP of -2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-5-hydroxy-5-oxopentanoate is sourced from PubChem (CID 139054390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).