3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid

C11H21NO3 — CID 62520820

IUPAC3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
SMILESCC(CNC1(CO)CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-9(10(14)15)7-12-11(8-13)5-3-2-4-6-11/h9,12-13H,2-8H2,1H3,(H,14,15)
InChIKeyUTCJGOFQCHMERQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.99
Rot. Bonds5

About 3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid

3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid (PubChem CID 62520820) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
PubChem CID62520820
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid
SMILESCC(CNC1(CO)CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-9(10(14)15)7-12-11(8-13)5-3-2-4-6-11/h9,12-13H,2-8H2,1H3,(H,14,15)
InChIKeyUTCJGOFQCHMERQ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479
[1-(2-methylpropylamino)cyclopentyl]methanol
CID 61054740
2-amino-3-[[1-(hydroxymethyl)cyclohexyl]amino]propanoic acid
CID 103249131
[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol
CID 63697255
2-bromo-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 107905156
2-chloro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62551130
4-[[1-(hydroxymethyl)cyclopentyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498282
3-[[1-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 62625547
3-[(1-hydroxycycloheptyl)methylamino]-2-methylpropanoic acid
CID 65122525
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide
CID 106297544
2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid
CID 64669958
[8-(2-methylpropylamino)spiro[4.5]decan-8-yl]methanol
CID 114819869

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid (CID 62520820) is 3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid is CC(CNC1(CO)CCCCC1)C(=O)O.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid?
The InChIKey is UTCJGOFQCHMERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(10(14)15)7-12-11(8-13)5-3-2-4-6-11/h9,12-13H,2-8H2,1H3,(H,14,15).
What are the key properties of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid?
3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62520820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).