2-aminopentanedioate

C5H7NO4-2 — CID 5128032

IUPAC2-aminopentanedioate
SMILESNC(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-2
InChIKeyWHUUTDBJXJRKMK-UHFFFAOYSA-L
MW145.11 g/mol
LogP-3.41
Rot. Bonds4

About 2-aminopentanedioate

2-aminopentanedioate (PubChem CID 5128032) has the molecular formula C5H7NO4-2 and a molecular weight of 145.11 g/mol. Its IUPAC name is 2-aminopentanedioate.

Molecular Properties

Compound Name2-aminopentanedioate
PubChem CID5128032
Molecular FormulaC5H7NO4-2
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name2-aminopentanedioate
SMILESNC(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-2
InChIKeyWHUUTDBJXJRKMK-UHFFFAOYSA-L
XLogP-3.41
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-3.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
Monopotassium glutamate
CID 23695977
Glutamate(1-)
CID 4525487
L-glutamic acid, ion(1-)
CID 5460299
CID 44272391
CID 44272391
CID 88747398
CID 88747398
CID 139054390
CID 139054390

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanedioate?
The IUPAC name of 2-aminopentanedioate (CID 5128032) is 2-aminopentanedioate.
What is the SMILES notation for 2-aminopentanedioate?
The canonical SMILES for 2-aminopentanedioate is NC(CCC(=O)[O-])C(=O)[O-].
What is the InChIKey of 2-aminopentanedioate?
The InChIKey is WHUUTDBJXJRKMK-UHFFFAOYSA-L. 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-2.
What are the key properties of 2-aminopentanedioate?
2-aminopentanedioate has a molecular weight of 145.11 g/mol, XLogP of -3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanedioate is sourced from PubChem (CID 5128032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).