2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid

C10H19NO3 — CID 103267745

IUPAC2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid
SMILESCCC(CCO)NC1CCC1C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-7(5-6-12)11-9-4-3-8(9)10(13)14/h7-9,11-12H,2-6H2,1H3,(H,13,14)
InChIKeyCCICBFHZTVLJSE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.60
Rot. Bonds6

About 2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid

2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid (PubChem CID 103267745) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid
PubChem CID103267745
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid
SMILESCCC(CCO)NC1CCC1C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-7(5-6-12)11-9-4-3-8(9)10(13)14/h7-9,11-12H,2-6H2,1H3,(H,13,14)
InChIKeyCCICBFHZTVLJSE-UHFFFAOYSA-N
XLogP0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-1-methoxybutan-2-yl)amino]cyclobutane-1-carboxylic acid
CID 106162234
3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551207
3-(cyclopropylamino)pentan-1-ol
CID 83815190
3-[(2-methylthiolan-3-yl)amino]pentan-1-ol
CID 102672340
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
CID 115723128
trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
CID 102731727
2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103230437
3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol
CID 115723127
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79694697
2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103267849
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817528

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid (CID 103267745) is 2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid is CCC(CCO)NC1CCC1C(=O)O.
What is the InChIKey of 2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid?
The InChIKey is CCICBFHZTVLJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-7(5-6-12)11-9-4-3-8(9)10(13)14/h7-9,11-12H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid?
2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103267745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).