2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid

C8H17NO4 — CID 63989473

IUPAC2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
SMILESCC(C)OCC(O)CNCC(=O)O
InChIInChI=1S/C8H17NO4/c1-6(2)13-5-7(10)3-9-4-8(11)12/h6-7,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeySIQAYQYEJKAJFP-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.55
Rot. Bonds7

About 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid

2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid (PubChem CID 63989473) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
PubChem CID63989473
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
SMILESCC(C)OCC(O)CNCC(=O)O
InChIInChI=1S/C8H17NO4/c1-6(2)13-5-7(10)3-9-4-8(11)12/h6-7,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeySIQAYQYEJKAJFP-UHFFFAOYSA-N
XLogP-0.55
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-N,N-dimethylacetamide
CID 60901800
3-hydroxy-4-propan-2-yloxybutanoic acid
CID 65416827
2-[(2-hydroxy-3-phosphonooxypropyl)amino]acetic acid
CID 57152304
1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
CID 60649306
1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol
CID 62273506
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid
CID 79791571
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683120
acetic acid;2-(2,2-dihydroxyethylamino)acetic acid
CID 175208763
1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
CID 106160001
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
CID 65109325

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid (CID 63989473) is 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid is CC(C)OCC(O)CNCC(=O)O.
What is the InChIKey of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid?
The InChIKey is SIQAYQYEJKAJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(2)13-5-7(10)3-9-4-8(11)12/h6-7,9-10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid?
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid has a molecular weight of 191.23 g/mol, XLogP of -0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid is sourced from PubChem (CID 63989473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).