[(1S)-1,3-dicarboxypropyl]azanium

C5H10NO4+ — CID 5147171

IUPAC[(1S)-1,3-dicarboxypropyl]azanium
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-O
MW148.14 g/mol
LogP-1.45
Rot. Bonds4

About [(1S)-1,3-dicarboxypropyl]azanium

[(1S)-1,3-dicarboxypropyl]azanium (PubChem CID 5147171) has the molecular formula C5H10NO4+ and a molecular weight of 148.14 g/mol. Its IUPAC name is [(1S)-1,3-dicarboxypropyl]azanium.

Molecular Properties

Compound Name[(1S)-1,3-dicarboxypropyl]azanium
PubChem CID5147171
Molecular FormulaC5H10NO4+
Molecular Weight148.14 g/mol
Exact Mass148.06
IUPAC Name[(1S)-1,3-dicarboxypropyl]azanium
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-O
XLogP-1.45
TPSA102.24 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-azaniumyl-5-hydroxy-5-oxopentanoate
CID 57397101
[(1S)-3-bromo-1-carboxypropyl]azanium
CID 50936920
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
CID 87237505
CID 87237505
[(1S)-1-carboxy-2-hydroxyethyl]azanium
CID 5460790
(2S)-2-sulfanylpentanedioic acid
CID 87305291
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
(2R)-2-hydroxypentanedioic acid;hydrate
CID 141372843
2-aminopentanedioic acid
CID 611
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287

Frequently Asked Questions

What is the IUPAC name of [(1S)-1,3-dicarboxypropyl]azanium?
The IUPAC name of [(1S)-1,3-dicarboxypropyl]azanium (CID 5147171) is [(1S)-1,3-dicarboxypropyl]azanium.
What is the SMILES notation for [(1S)-1,3-dicarboxypropyl]azanium?
The canonical SMILES for [(1S)-1,3-dicarboxypropyl]azanium is [NH3+][C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of [(1S)-1,3-dicarboxypropyl]azanium?
The InChIKey is WHUUTDBJXJRKMK-VKHMYHEASA-O. 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 [(1S)-1,3-dicarboxypropyl]azanium?
[(1S)-1,3-dicarboxypropyl]azanium has a molecular weight of 148.14 g/mol, XLogP of -1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,3-dicarboxypropyl]azanium is sourced from PubChem (CID 5147171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).