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

C9H19NO4 — CID 63989472

IUPAC2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid
SMILESCC(C)OCC(O)CN(C)CC(=O)O
InChIInChI=1S/C9H19NO4/c1-7(2)14-6-8(11)4-10(3)5-9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyMIMZMRLDLVZSFZ-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.21
Rot. Bonds7

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

2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid (PubChem CID 63989472) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid
PubChem CID63989472
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid
SMILESCC(C)OCC(O)CN(C)CC(=O)O
InChIInChI=1S/C9H19NO4/c1-7(2)14-6-8(11)4-10(3)5-9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyMIMZMRLDLVZSFZ-UHFFFAOYSA-N
XLogP-0.21
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340
1-[2,2-dimethylpropyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62922207
3-hydroxy-4-propan-2-yloxybutanoic acid
CID 65416827
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
2-[[(2R)-2,5-dihydroxyheptyl]-methylamino]acetic acid
CID 175832916
methyl 2-[(2-hydroxy-3-propan-2-yloxypropyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63987192
1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60752269
1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
CID 53355364
4-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-methylamino]butanoic acid
CID 106991392
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetic acid
CID 63900475
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
CID 63989473

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid (CID 63989472) is 2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid is CC(C)OCC(O)CN(C)CC(=O)O.
What is the InChIKey of 2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid?
The InChIKey is MIMZMRLDLVZSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-7(2)14-6-8(11)4-10(3)5-9(12)13/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid?
2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid has a molecular weight of 205.25 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid is sourced from PubChem (CID 63989472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).