1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid

C14H24N2O4 — CID 102865081

IUPAC1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C14H24N2O4/c17-10-4-9-15(11-5-3-6-11)14(20)16-8-2-1-7-12(16)13(18)19/h11-12,17H,1-10H2,(H,18,19)
InChIKeyAARXCLDHYWAHAK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.28
Rot. Bonds5

About 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid

1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 102865081) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID102865081
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C14H24N2O4/c17-10-4-9-15(11-5-3-6-11)14(20)16-8-2-1-7-12(16)13(18)19/h11-12,17H,1-10H2,(H,18,19)
InChIKeyAARXCLDHYWAHAK-UHFFFAOYSA-N
XLogP1.28
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54995466
1-[cyclopropyl(3-methylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 78974429
1-[bis(2-hydroxyethyl)carbamoyl]azepane-2-carboxylic acid
CID 64564677
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid
CID 102865230
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
(2S)-1-[piperidin-4-yl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61407896
(2S)-1-(4-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 15384175
2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid
CID 102865175
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]azocane-2-carboxylic acid
CID 114239873
1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 61039163
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid (CID 102865081) is 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)N(CCCO)C1CCC1.
What is the InChIKey of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is AARXCLDHYWAHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-10-4-9-15(11-5-3-6-11)14(20)16-8-2-1-7-12(16)13(18)19/h11-12,17H,1-10H2,(H,18,19).
What are the key properties of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid?
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 102865081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).