[(3S)-3-amino-3-carboxypropyl]azanium

C4H11N2O2+ — CID 138398292

IUPAC[(3S)-3-amino-3-carboxypropyl]azanium
SMILESN[C@@H](CC[NH3+])C(=O)O
InChIInChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/p+1/t3-/m0/s1
InChIKeyOGNSCSPNOLGXSM-VKHMYHEASA-O
MW119.14 g/mol
LogP-1.97
Rot. Bonds3

About [(3S)-3-amino-3-carboxypropyl]azanium

[(3S)-3-amino-3-carboxypropyl]azanium (PubChem CID 138398292) has the molecular formula C4H11N2O2+ and a molecular weight of 119.14 g/mol. Its IUPAC name is [(3S)-3-amino-3-carboxypropyl]azanium.

Molecular Properties

Compound Name[(3S)-3-amino-3-carboxypropyl]azanium
PubChem CID138398292
Molecular FormulaC4H11N2O2+
Molecular Weight119.14 g/mol
Exact Mass119.08
IUPAC Name[(3S)-3-amino-3-carboxypropyl]azanium
SMILESN[C@@H](CC[NH3+])C(=O)O
InChIInChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/p+1/t3-/m0/s1
InChIKeyOGNSCSPNOLGXSM-VKHMYHEASA-O
XLogP-1.97
TPSA90.96 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
(-)-Asparagine
CID 6267
(-)-2-Aminobutyric acid
CID 80283
2,4-Diaminobutyric acid
CID 470
L-2,4-Diaminobutyric acid
CID 134490
D-Alpha-aminobutyric acid
CID 439691
D-Asparagine
CID 439600
Alpha-Aminobutyric Acid
CID 6657
DL-Asparagine
CID 236
L-Asparagine, monohydrate
CID 170358
L-2,4-diazaniumylbutyrate
CID 6971272
D-Asparagine hydrate
CID 16211197

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-amino-3-carboxypropyl]azanium?
The IUPAC name of [(3S)-3-amino-3-carboxypropyl]azanium (CID 138398292) is [(3S)-3-amino-3-carboxypropyl]azanium.
What is the SMILES notation for [(3S)-3-amino-3-carboxypropyl]azanium?
The canonical SMILES for [(3S)-3-amino-3-carboxypropyl]azanium is N[C@@H](CC[NH3+])C(=O)O.
What is the InChIKey of [(3S)-3-amino-3-carboxypropyl]azanium?
The InChIKey is OGNSCSPNOLGXSM-VKHMYHEASA-O. The full InChI is InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/p+1/t3-/m0/s1.
What are the key properties of [(3S)-3-amino-3-carboxypropyl]azanium?
[(3S)-3-amino-3-carboxypropyl]azanium has a molecular weight of 119.14 g/mol, XLogP of -1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-amino-3-carboxypropyl]azanium is sourced from PubChem (CID 138398292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).