2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid

C9H19NO3 — CID 83038793

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid
SMILESCCCC(NC(C)(C)CO)C(=O)O
InChIInChI=1S/C9H19NO3/c1-4-5-7(8(12)13)10-9(2,3)6-11/h7,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeyKTOJUOBJGOVLJE-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.60
Rot. Bonds6

About 2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid

2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid (PubChem CID 83038793) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid
PubChem CID83038793
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid
SMILESCCCC(NC(C)(C)CO)C(=O)O
InChIInChI=1S/C9H19NO3/c1-4-5-7(8(12)13)10-9(2,3)6-11/h7,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeyKTOJUOBJGOVLJE-UHFFFAOYSA-N
XLogP0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]pentanoic acid
CID 83041307
2-[(4-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
CID 103267787
(2R)-2-(methylamino)pentanoic acid
CID 15677248
2-(tert-butylamino)-4-hydroxybutanoic acid
CID 83695715
2-[(2-amino-2-methylbutanoyl)amino]pentanoic acid
CID 79805263
(2R)-2-(oxidoamino)pentanoic acid
CID 141472977
(2S)-2-(iodoamino)pentanoic acid
CID 175707899
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
2-(tritylamino)pentanoic acid
CID 70010724
(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid
CID 103869776
2-(3,3-dimethylbutanoylamino)pentanoic acid
CID 43631047
2-[(3-hydroxy-2-methylbutan-2-yl)amino]hexanoic acid
CID 103266665

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid (CID 83038793) is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid is CCCC(NC(C)(C)CO)C(=O)O.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid?
The InChIKey is KTOJUOBJGOVLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-5-7(8(12)13)10-9(2,3)6-11/h7,10-11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid?
2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 83038793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).