3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid

C11H21NO3 — CID 106360781

IUPAC3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid
SMILESCC(NC1CCCC1CO)C(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-7(11(14)15)8(2)12-10-5-3-4-9(10)6-13/h7-10,12-13H,3-6H2,1-2H3,(H,14,15)
InChIKeyDMWVXJRMGLOMDA-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.85
Rot. Bonds5

About 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid

3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid (PubChem CID 106360781) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid
PubChem CID106360781
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid
SMILESCC(NC1CCCC1CO)C(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-7(11(14)15)8(2)12-10-5-3-4-9(10)6-13/h7-10,12-13H,3-6H2,1-2H3,(H,14,15)
InChIKeyDMWVXJRMGLOMDA-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol
CID 104934399
[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methanol
CID 103096667
3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid
CID 106359984
2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid
CID 106362432
[2-(1-cyclopentylethylamino)cyclopentyl]methanol
CID 115723803
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 106361170
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-(2-methylpropyl)propanamide
CID 106360844
[2-(2-methylpentan-3-ylamino)cyclopentyl]methanol
CID 115723783
[2-(1-cyclopropylpropan-2-ylamino)cyclopentyl]methanol
CID 115723777
(2S)-2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 129435663
(2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 99609371
[2-(dicyclopropylmethylamino)cyclopentyl]methanol
CID 115723754

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid?
The IUPAC name of 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid (CID 106360781) is 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid is CC(NC1CCCC1CO)C(C)C(=O)O.
What is the InChIKey of 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid?
The InChIKey is DMWVXJRMGLOMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(11(14)15)8(2)12-10-5-3-4-9(10)6-13/h7-10,12-13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid?
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 106360781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).