2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid

C10H14N2O4 — CID 61316436

IUPAC2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid
SMILESCCCn1cc(N)cc1C(=O)OCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-2-3-12-5-7(11)4-8(12)10(15)16-6-9(13)14/h4-5H,2-3,6,11H2,1H3,(H,13,14)
InChIKeyKWWPOGQIMCZQMD-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.72
Rot. Bonds5

About 2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid

2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid (PubChem CID 61316436) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid.

Molecular Properties

Compound Name2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid
PubChem CID61316436
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid
SMILESCCCn1cc(N)cc1C(=O)OCC(=O)O
InChIInChI=1S/C10H14N2O4/c1-2-3-12-5-7(11)4-8(12)10(15)16-6-9(13)14/h4-5H,2-3,6,11H2,1H3,(H,13,14)
InChIKeyKWWPOGQIMCZQMD-UHFFFAOYSA-N
XLogP0.72
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61310196
[2-(butylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61485932
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-propylpyrrole-2-carboxylate
CID 61315296
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 4-amino-1-propylpyrrole-2-carboxylate
CID 61488139
(4-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315483
(4-bromophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 61315860
2-tert-butylsulfonylethyl 4-amino-1-propylpyrrole-2-carboxylate
CID 106728792
oxan-4-ylmethyl 4-amino-1-propylpyrrole-2-carboxylate
CID 62383490
(5-fluoro-2-methylphenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 105374637
(1-ethylpyrazol-4-yl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 62127870
1-ethoxypropan-2-yl 4-amino-1-propylpyrrole-2-carboxylate
CID 103489505
(4-chloro-2-fluorophenyl)methyl 4-amino-1-propylpyrrole-2-carboxylate
CID 114857740

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid?
The IUPAC name of 2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid (CID 61316436) is 2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid.
What is the SMILES notation for 2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid?
The canonical SMILES for 2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid is CCCn1cc(N)cc1C(=O)OCC(=O)O.
What is the InChIKey of 2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid?
The InChIKey is KWWPOGQIMCZQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-3-12-5-7(11)4-8(12)10(15)16-6-9(13)14/h4-5H,2-3,6,11H2,1H3,(H,13,14).
What are the key properties of 2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid?
2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid has a molecular weight of 226.23 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1-propylpyrrole-2-carbonyl)oxyacetic acid is sourced from PubChem (CID 61316436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).