[(1S,2R)-1-carboxy-2-hydroxypropyl]azanium

C4H10NO3+ — CID 5460795

IUPAC[(1S,2R)-1-carboxy-2-hydroxypropyl]azanium
SMILESC[C@@H](O)[C@H]([NH3+])C(=O)O
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p+1/t2-,3+/m1/s1
InChIKeyAYFVYJQAPQTCCC-GBXIJSLDSA-O
MW120.13 g/mol
LogP-1.94
Rot. Bonds2

About [(1S,2R)-1-carboxy-2-hydroxypropyl]azanium

[(1S,2R)-1-carboxy-2-hydroxypropyl]azanium (PubChem CID 5460795) has the molecular formula C4H10NO3+ and a molecular weight of 120.13 g/mol. Its IUPAC name is [(1S,2R)-1-carboxy-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name[(1S,2R)-1-carboxy-2-hydroxypropyl]azanium
PubChem CID5460795
Molecular FormulaC4H10NO3+
Molecular Weight120.13 g/mol
Exact Mass120.07
IUPAC Name[(1S,2R)-1-carboxy-2-hydroxypropyl]azanium
SMILESC[C@@H](O)[C@H]([NH3+])C(=O)O
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p+1/t2-,3+/m1/s1
InChIKeyAYFVYJQAPQTCCC-GBXIJSLDSA-O
XLogP-1.94
TPSA85.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-carboxy-2-hydroxypropyl]azanium?
The IUPAC name of [(1S,2R)-1-carboxy-2-hydroxypropyl]azanium (CID 5460795) is [(1S,2R)-1-carboxy-2-hydroxypropyl]azanium.
What is the SMILES notation for [(1S,2R)-1-carboxy-2-hydroxypropyl]azanium?
The canonical SMILES for [(1S,2R)-1-carboxy-2-hydroxypropyl]azanium is C[C@@H](O)[C@H]([NH3+])C(=O)O.
What is the InChIKey of [(1S,2R)-1-carboxy-2-hydroxypropyl]azanium?
The InChIKey is AYFVYJQAPQTCCC-GBXIJSLDSA-O. The full InChI is InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/p+1/t2-,3+/m1/s1.
What are the key properties of [(1S,2R)-1-carboxy-2-hydroxypropyl]azanium?
[(1S,2R)-1-carboxy-2-hydroxypropyl]azanium has a molecular weight of 120.13 g/mol, XLogP of -1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-carboxy-2-hydroxypropyl]azanium is sourced from PubChem (CID 5460795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).