1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid

C12H23NO5 — CID 106991512

IUPAC1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid
SMILESCOCC(C)OCC(O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C12H23NO5/c1-9(7-17-2)18-8-10(14)6-13-12(11(15)16)4-3-5-12/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyCNXZRNDGDNPUFI-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.00
Rot. Bonds9

About 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid

1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 106991512) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid
PubChem CID106991512
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid
SMILESCOCC(C)OCC(O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C12H23NO5/c1-9(7-17-2)18-8-10(14)6-13-12(11(15)16)4-3-5-12/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyCNXZRNDGDNPUFI-UHFFFAOYSA-N
XLogP-0.00
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethoxyamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990341
1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990396
1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 106990337
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-(1-adamantylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989011
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990157
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-(2-methylpentylamino)cyclobutane-1-carboxylic acid
CID 81167550
1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 81166849
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
CID 107151910

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid (CID 106991512) is 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid is COCC(C)OCC(O)CNC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is CNXZRNDGDNPUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-9(7-17-2)18-8-10(14)6-13-12(11(15)16)4-3-5-12/h9-10,13-14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of -0.00, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106991512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).