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

C11H23NO4 — CID 79791571

IUPAC2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NCC(O)COC(C)C)C(=O)O
InChIInChI=1S/C11H23NO4/c1-5-11(4,10(14)15)12-6-9(13)7-16-8(2)3/h8-9,12-13H,5-7H2,1-4H3,(H,14,15)
InChIKeyKTVCNIAGNDYOMP-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.62
Rot. Bonds8

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

2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid (PubChem CID 79791571) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid
PubChem CID79791571
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NCC(O)COC(C)C)C(=O)O
InChIInChI=1S/C11H23NO4/c1-5-11(4,10(14)15)12-6-9(13)7-16-8(2)3/h8-9,12-13H,5-7H2,1-4H3,(H,14,15)
InChIKeyKTVCNIAGNDYOMP-UHFFFAOYSA-N
XLogP0.62
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid
CID 79788909
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
CID 63989473
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid
CID 82851075
1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol
CID 60634427
3-hydroxy-4-propan-2-yloxybutanoic acid
CID 65416827
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
2-methyl-2-(2-methylpropylamino)pentanoic acid
CID 43619509
1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol
CID 110181812
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-(2-hydroxybutylamino)-2-methylpropanoic acid
CID 65263487

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid (CID 79791571) is 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid is CCC(C)(NCC(O)COC(C)C)C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid?
The InChIKey is KTVCNIAGNDYOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-5-11(4,10(14)15)12-6-9(13)7-16-8(2)3/h8-9,12-13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid?
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylbutanoic acid has a molecular weight of 233.31 g/mol, XLogP of 0.62, 8 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]-2-methylbutanoic acid is sourced from PubChem (CID 79791571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).