1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid

C10H19NO3 — CID 114495075

IUPAC1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid
SMILESCCC(C)(O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C10H19NO3/c1-3-9(2,14)7-11-10(8(12)13)5-4-6-10/h11,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyPUCSDIZJYBQZGH-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.74
Rot. Bonds5

About 1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid

1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 114495075) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid
PubChem CID114495075
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid
SMILESCCC(C)(O)CNC1(C(=O)O)CCC1
InChIInChI=1S/C10H19NO3/c1-3-9(2,14)7-11-10(8(12)13)5-4-6-10/h11,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyPUCSDIZJYBQZGH-UHFFFAOYSA-N
XLogP0.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(1-methylcyclohexyl)amino]butan-2-ol
CID 114492990
1-[2-[(2-hydroxy-2-methylbutyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 65108421
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463181
N-(2-hydroxy-2-methylbutyl)-1-methylcyclopentane-1-carboxamide
CID 79040016
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
1-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81167653
1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid
CID 81167542
1-(2-methylpentylamino)cyclobutane-1-carboxylic acid
CID 81167550
1-(2-hydroxy-2-methylbutyl)cycloheptane-1-carboxylic acid
CID 114497614
1-(2,2-difluoroethylamino)cyclobutane-1-carboxylic acid
CID 81166849
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 114987731

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid (CID 114495075) is 1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid is CCC(C)(O)CNC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is PUCSDIZJYBQZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-9(2,14)7-11-10(8(12)13)5-4-6-10/h11,14H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-methylbutyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 114495075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).