2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid

C14H25NO4 — CID 102866004

IUPAC2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C14H25NO4/c1-14(2,3)11(13(18)19)12(17)15(8-5-9-16)10-6-4-7-10/h10-11,16H,4-9H2,1-3H3,(H,18,19)
InChIKeyJKPNDGITVCKNBG-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.50
Rot. Bonds6

About 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid

2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid (PubChem CID 102866004) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid
PubChem CID102866004
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(C(=O)O)C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C14H25NO4/c1-14(2,3)11(13(18)19)12(17)15(8-5-9-16)10-6-4-7-10/h10-11,16H,4-9H2,1-3H3,(H,18,19)
InChIKeyJKPNDGITVCKNBG-UHFFFAOYSA-N
XLogP1.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoate
CID 102865998
N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
CID 103514023
N-[1-[cyclobutyl(3-hydroxypropyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 102866389
N-cyclobutyl-2-ethyl-N-(3-hydroxypropyl)hexanamide
CID 102866331
2-[cyclopropyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116537389
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861176
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylpropanamide
CID 102978246
(2R)-2-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 113353384
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228
6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylheptanamide
CID 102861762
2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid
CID 102865173

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid (CID 102866004) is 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid is CC(C)(C)C(C(=O)O)C(=O)N(CCCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid?
The InChIKey is JKPNDGITVCKNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,3)11(13(18)19)12(17)15(8-5-9-16)10-6-4-7-10/h10-11,16H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid?
2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 102866004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).