2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid

C5H11NO5 — CID 19611968

IUPAC2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid
SMILESO=C(O)CNC(CO)C(O)O
InChIInChI=1S/C5H11NO5/c7-2-3(5(10)11)6-1-4(8)9/h3,5-7,10-11H,1-2H2,(H,8,9)
InChIKeyQPSLVMKZEVFIBU-UHFFFAOYSA-N
MW165.14 g/mol
LogP-2.67
Rot. Bonds5

About 2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid

2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid (PubChem CID 19611968) has the molecular formula C5H11NO5 and a molecular weight of 165.14 g/mol. Its IUPAC name is 2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid
PubChem CID19611968
Molecular FormulaC5H11NO5
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid
SMILESO=C(O)CNC(CO)C(O)O
InChIInChI=1S/C5H11NO5/c7-2-3(5(10)11)6-1-4(8)9/h3,5-7,10-11H,1-2H2,(H,8,9)
InChIKeyQPSLVMKZEVFIBU-UHFFFAOYSA-N
XLogP-2.67
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 5-2.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid?
The IUPAC name of 2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid (CID 19611968) is 2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid.
What is the SMILES notation for 2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid?
The canonical SMILES for 2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid is O=C(O)CNC(CO)C(O)O.
What is the InChIKey of 2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid?
The InChIKey is QPSLVMKZEVFIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5/c7-2-3(5(10)11)6-1-4(8)9/h3,5-7,10-11H,1-2H2,(H,8,9).
What are the key properties of 2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid?
2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid has a molecular weight of 165.14 g/mol, XLogP of -2.67, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,3-trihydroxypropan-2-ylamino)acetic acid is sourced from PubChem (CID 19611968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).