2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid

C14H25N3O4 — CID 102865175

IUPAC2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)N(CCCO)C2CCC2)CC1
InChIInChI=1S/C14H25N3O4/c18-10-2-5-17(12-3-1-4-12)14(21)16-8-6-15(7-9-16)11-13(19)20/h12,18H,1-11H2,(H,19,20)
InChIKeyUNLMVKRWVXLMTO-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.05
Rot. Bonds6

About 2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 102865175) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID102865175
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)N(CCCO)C2CCC2)CC1
InChIInChI=1S/C14H25N3O4/c18-10-2-5-17(12-3-1-4-12)14(21)16-8-6-15(7-9-16)11-13(19)20/h12,18H,1-11H2,(H,19,20)
InChIKeyUNLMVKRWVXLMTO-UHFFFAOYSA-N
XLogP0.05
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[cyclopropyl(2-methoxyethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62825543
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-3-carboxylic acid
CID 102865230
2-[4-[cyclopropyl(cyclopropylmethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 64520803
2-[4-[bis(2-hydroxyethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62825537
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperidine-2-carboxylic acid
CID 102865081
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
2-[4-[cyclopentylmethyl(methyl)carbamoyl]piperazin-1-yl]acetic acid
CID 63657971
2-[4-(dimethylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825178
N-cyclobutyl-N-(3-hydroxypropyl)cyclooctanecarboxamide
CID 102866891
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 102865159
2-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 63699766
1-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 102866122

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid (CID 102865175) is 2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)N(CCCO)C2CCC2)CC1.
What is the InChIKey of 2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is UNLMVKRWVXLMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c18-10-2-5-17(12-3-1-4-12)14(21)16-8-6-15(7-9-16)11-13(19)20/h12,18H,1-11H2,(H,19,20).
What are the key properties of 2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclobutyl(3-hydroxypropyl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 102865175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).