2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid

C12H19N3O3 — CID 84748088

IUPAC2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid
SMILESO=C(O)C(NCCN1CCOCC1)c1ccc[nH]1
InChIInChI=1S/C12H19N3O3/c16-12(17)11(10-2-1-3-13-10)14-4-5-15-6-8-18-9-7-15/h1-3,11,13-14H,4-9H2,(H,16,17)
InChIKeyWGLGQXPFSMAYEN-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.06
Rot. Bonds6

About 2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid

2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid (PubChem CID 84748088) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid
PubChem CID84748088
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid
SMILESO=C(O)C(NCCN1CCOCC1)c1ccc[nH]1
InChIInChI=1S/C12H19N3O3/c16-12(17)11(10-2-1-3-13-10)14-4-5-15-6-8-18-9-7-15/h1-3,11,13-14H,4-9H2,(H,16,17)
InChIKeyWGLGQXPFSMAYEN-UHFFFAOYSA-N
XLogP0.06
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-(2-morpholin-4-ylethyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-amine
CID 143466541
2-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663033
(2R)-2-(2-morpholin-4-ylethylamino)-3-phenylpropan-1-ol
CID 66961586
(2S)-4-(4-chlorophenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 683158
(2R)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 683168
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
(2R)-4-(3-methylanilino)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 1277380
2-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 70160615
(2R)-N-(2-morpholin-4-ylethyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 110205726

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid (CID 84748088) is 2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid is O=C(O)C(NCCN1CCOCC1)c1ccc[nH]1.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid?
The InChIKey is WGLGQXPFSMAYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c16-12(17)11(10-2-1-3-13-10)14-4-5-15-6-8-18-9-7-15/h1-3,11,13-14H,4-9H2,(H,16,17).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid?
2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid has a molecular weight of 253.30 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-2-(1H-pyrrol-2-yl)acetic acid is sourced from PubChem (CID 84748088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).