3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid

C10H19NO4 — CID 106362427

IUPAC3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid
SMILESO=C(O)CC(O)CNC1CCCC1CO
InChIInChI=1S/C10H19NO4/c12-6-7-2-1-3-9(7)11-5-8(13)4-10(14)15/h7-9,11-13H,1-6H2,(H,14,15)
InChIKeyVJRNLPRRZKYKDL-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.43
Rot. Bonds6

About 3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid

3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid (PubChem CID 106362427) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid
PubChem CID106362427
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid
SMILESO=C(O)CC(O)CNC1CCCC1CO
InChIInChI=1S/C10H19NO4/c12-6-7-2-1-3-9(7)11-5-8(13)4-10(14)15/h7-9,11-13H,1-6H2,(H,14,15)
InChIKeyVJRNLPRRZKYKDL-UHFFFAOYSA-N
XLogP-0.43
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[[2-(hydroxymethyl)cyclopentyl]amino]propan-2-ol
CID 106360589
1-[[2-(hydroxymethyl)cyclopentyl]amino]-3-phenoxypropan-2-ol
CID 106360731
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropan-1-ol
CID 106360784
3,3,3-trifluoro-2-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]propanoic acid
CID 106362475
1,1,1-trifluoro-3-[[2-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 104934387
3-[[2-(hydroxymethyl)cyclohexyl]amino]-2-methylpropan-1-ol
CID 104934327
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpropanenitrile
CID 106360707
(E)-4-[[2-(hydroxymethyl)cyclopentyl]amino]but-2-enoic acid
CID 106362463
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
1-(2-chlorophenyl)-2-[[2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 106360636
[(1R,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 131092066
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid (CID 106362427) is 3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid is O=C(O)CC(O)CNC1CCCC1CO.
What is the InChIKey of 3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid?
The InChIKey is VJRNLPRRZKYKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c12-6-7-2-1-3-9(7)11-5-8(13)4-10(14)15/h7-9,11-13H,1-6H2,(H,14,15).
What are the key properties of 3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid?
3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of -0.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[[2-(hydroxymethyl)cyclopentyl]amino]butanoic acid is sourced from PubChem (CID 106362427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).