1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

C14H20N2O4 — CID 102866003

IUPAC1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C14H20N2O4/c17-9-3-8-16(11-4-1-5-11)13(18)10-15-7-2-6-12(15)14(19)20/h2,6-7,11,17H,1,3-5,8-10H2,(H,19,20)
InChIKeyVUYZIFCASYIDGH-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.95
Rot. Bonds7

About 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 102866003) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID102866003
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1CC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C14H20N2O4/c17-9-3-8-16(11-4-1-5-11)13(18)10-15-7-2-6-12(15)14(19)20/h2,6-7,11,17H,1,3-5,8-10H2,(H,19,20)
InChIKeyVUYZIFCASYIDGH-UHFFFAOYSA-N
XLogP0.95
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 102866026
1-[2-[cyclohexyl(2-hydroxyethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324235
N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
CID 102866070
1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324066
1-[2-[cyclopentylmethyl(methyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324558
2-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]benzoic acid
CID 102860796
2-[2-[butyl(cyclopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324945
1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324531
1-[2-[bis(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324985
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylacetamide
CID 102861821
N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
CID 102866164
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)pyrrol-1-yl]acetamide
CID 66399317

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 102866003) is 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1CC(=O)N(CCCO)C1CCC1.
What is the InChIKey of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is VUYZIFCASYIDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-9-3-8-16(11-4-1-5-11)13(18)10-15-7-2-6-12(15)14(19)20/h2,6-7,11,17H,1,3-5,8-10H2,(H,19,20).
What are the key properties of 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 102866003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).