(2S)-2-azaniumylpentanedioate

C5H8NO4- — CID 5460299

IUPAC(2S)-2-azaniumylpentanedioate
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)/p-1/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-M
MW146.12 g/mol
LogP-4.12
Rot. Bonds4

About (2S)-2-azaniumylpentanedioate

(2S)-2-azaniumylpentanedioate (PubChem CID 5460299) has the molecular formula C5H8NO4- and a molecular weight of 146.12 g/mol. Its IUPAC name is (2S)-2-azaniumylpentanedioate.

Molecular Properties

Compound Name(2S)-2-azaniumylpentanedioate
PubChem CID5460299
Molecular FormulaC5H8NO4-
Molecular Weight146.12 g/mol
Exact Mass146.05
IUPAC Name(2S)-2-azaniumylpentanedioate
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)/p-1/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-M
XLogP-4.12
TPSA107.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.12
LogP ≤ 5-4.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
Glutamate(2-)
CID 5128032
Monopotassium glutamate
CID 23695977
Glutamate(1-)
CID 4525487
CID 44272391
CID 44272391
CID 88747398
CID 88747398
CID 139054390
CID 139054390

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azaniumylpentanedioate?
The IUPAC name of (2S)-2-azaniumylpentanedioate (CID 5460299) is (2S)-2-azaniumylpentanedioate.
What is the SMILES notation for (2S)-2-azaniumylpentanedioate?
The canonical SMILES for (2S)-2-azaniumylpentanedioate is [NH3+][C@@H](CCC(=O)[O-])C(=O)[O-].
What is the InChIKey of (2S)-2-azaniumylpentanedioate?
The InChIKey is WHUUTDBJXJRKMK-VKHMYHEASA-M. 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)/p-1/t3-/m0/s1.
What are the key properties of (2S)-2-azaniumylpentanedioate?
(2S)-2-azaniumylpentanedioate has a molecular weight of 146.12 g/mol, XLogP of -4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azaniumylpentanedioate is sourced from PubChem (CID 5460299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).