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

C5H11NO4 — CID 18964105

IUPAC2-(1,3-dihydroxypropan-2-ylamino)acetic acid
SMILESO=C(O)CNC(CO)CO
InChIInChI=1S/C5H11NO4/c7-2-4(3-8)6-1-5(9)10/h4,6-8H,1-3H2,(H,9,10)
InChIKeyUESZZVLLGFJHEC-UHFFFAOYSA-N
MW149.15 g/mol
LogP-1.99
Rot. Bonds5

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

2-(1,3-dihydroxypropan-2-ylamino)acetic acid (PubChem CID 18964105) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-(1,3-dihydroxypropan-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(1,3-dihydroxypropan-2-ylamino)acetic acid
PubChem CID18964105
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Name2-(1,3-dihydroxypropan-2-ylamino)acetic acid
SMILESO=C(O)CNC(CO)CO
InChIInChI=1S/C5H11NO4/c7-2-4(3-8)6-1-5(9)10/h4,6-8H,1-3H2,(H,9,10)
InChIKeyUESZZVLLGFJHEC-UHFFFAOYSA-N
XLogP-1.99
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-1.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxypropan-2-ylamino)acetic acid?
The IUPAC name of 2-(1,3-dihydroxypropan-2-ylamino)acetic acid (CID 18964105) is 2-(1,3-dihydroxypropan-2-ylamino)acetic acid.
What is the SMILES notation for 2-(1,3-dihydroxypropan-2-ylamino)acetic acid?
The canonical SMILES for 2-(1,3-dihydroxypropan-2-ylamino)acetic acid is O=C(O)CNC(CO)CO.
What is the InChIKey of 2-(1,3-dihydroxypropan-2-ylamino)acetic acid?
The InChIKey is UESZZVLLGFJHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4/c7-2-4(3-8)6-1-5(9)10/h4,6-8H,1-3H2,(H,9,10).
What are the key properties of 2-(1,3-dihydroxypropan-2-ylamino)acetic acid?
2-(1,3-dihydroxypropan-2-ylamino)acetic acid has a molecular weight of 149.15 g/mol, XLogP of -1.99, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxypropan-2-ylamino)acetic acid is sourced from PubChem (CID 18964105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).