2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid

C9H17NO3 — CID 80996818

IUPAC2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid
SMILESCC(O)CN(C)C1CCC1C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(11)5-10(2)8-4-3-7(8)9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyNFRBTAUFIQSWIU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.16
Rot. Bonds4

About 2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid

2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 80996818) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid
PubChem CID80996818
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid
SMILESCC(O)CN(C)C1CCC1C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(11)5-10(2)8-4-3-7(8)9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyNFRBTAUFIQSWIU-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63067749
2-[methyl(2-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 63067917
2-[methyl(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63074557
3-[2-hydroxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784368
2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid
CID 83817695
4-methyl-2-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63068114
2-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871527
2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068292
2-[cycloheptyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 80996383
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
CID 103191967
2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 80996502
2-[(3-chlorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 80996487

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid (CID 80996818) is 2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid is CC(O)CN(C)C1CCC1C(=O)O.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is NFRBTAUFIQSWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(11)5-10(2)8-4-3-7(8)9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid?
2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80996818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).