N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide

C12H19N3O3 — CID 141060612

IUPACN-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NC[C@H](O)CN1CCOCC1)c1cc[nH]c1
InChIInChI=1S/C12H19N3O3/c16-11(9-15-3-5-18-6-4-15)8-14-12(17)10-1-2-13-7-10/h1-2,7,11,13,16H,3-6,8-9H2,(H,14,17)/t11-/m0/s1
InChIKeyHLOGJQYFLNGSDO-NSHDSACASA-N
MW253.30 g/mol
LogP-0.56
Rot. Bonds5

About N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide

N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide (PubChem CID 141060612) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
PubChem CID141060612
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NC[C@H](O)CN1CCOCC1)c1cc[nH]c1
InChIInChI=1S/C12H19N3O3/c16-11(9-15-3-5-18-6-4-15)8-14-12(17)10-1-2-13-7-10/h1-2,7,11,13,16H,3-6,8-9H2,(H,14,17)/t11-/m0/s1
InChIKeyHLOGJQYFLNGSDO-NSHDSACASA-N
XLogP-0.56
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide
CID 888968
4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzamide
CID 110887236
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
CID 97245650
N-morpholin-4-yl-1H-pyrrole-3-carboxamide
CID 141172610
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574
N-(2-hydroxy-3-morpholin-4-ylpropyl)indolizine-1-carboxamide
CID 154766043
4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide
CID 126828439
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 110880623
6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
CID 126839955
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 126839949
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide (CID 141060612) is N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide is O=C(NC[C@H](O)CN1CCOCC1)c1cc[nH]c1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide?
The InChIKey is HLOGJQYFLNGSDO-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O3/c16-11(9-15-3-5-18-6-4-15)8-14-12(17)10-1-2-13-7-10/h1-2,7,11,13,16H,3-6,8-9H2,(H,14,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide?
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 141060612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).