2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid

C12H23NO3 — CID 106362432

IUPAC2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid
SMILESCCCCC(NC1CCCC1CO)C(=O)O
InChIInChI=1S/C12H23NO3/c1-2-3-6-11(12(15)16)13-10-7-4-5-9(10)8-14/h9-11,13-14H,2-8H2,1H3,(H,15,16)
InChIKeyLZUCRCIHIBGLPG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.38
Rot. Bonds7

About 2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid

2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid (PubChem CID 106362432) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid
PubChem CID106362432
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid
SMILESCCCCC(NC1CCCC1CO)C(=O)O
InChIInChI=1S/C12H23NO3/c1-2-3-6-11(12(15)16)13-10-7-4-5-9(10)8-14/h9-11,13-14H,2-8H2,1H3,(H,15,16)
InChIKeyLZUCRCIHIBGLPG-UHFFFAOYSA-N
XLogP1.38
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[[2-(hydroxymethyl)cyclopentyl]amino]propanoic acid
CID 106359984
[2-(octan-2-ylamino)cyclopentyl]methanol
CID 115723808
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid
CID 106360781
ethyl 2-[[2-(hydroxymethyl)cyclohexyl]amino]butanoate
CID 104696264
2-amino-N-[2-(hydroxymethyl)cyclohexyl]hexanamide
CID 114178728
2-(cyclopropylamino)heptanoic acid
CID 43754511
2-(cyclohexylamino)heptanoic acid
CID 60998800
2-(dithiolan-3-ylamino)hexanoic acid
CID 175582082
[2-[1-(4-fluorophenyl)pentylamino]cyclopentyl]methanol
CID 103786106
2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid
CID 103256663
N-[2-(hydroxymethyl)cyclopentyl]nonanamide
CID 103774038
2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid
CID 103259393

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid (CID 106362432) is 2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid is CCCCC(NC1CCCC1CO)C(=O)O.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid?
The InChIKey is LZUCRCIHIBGLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-3-6-11(12(15)16)13-10-7-4-5-9(10)8-14/h9-11,13-14H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid?
2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclopentyl]amino]hexanoic acid is sourced from PubChem (CID 106362432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).