4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide

C15H19N3O2 — CID 107861847

IUPAC4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-18-9-12(16)8-14(18)15(20)17-13(10-19)7-11-5-3-2-4-6-11/h2-6,8-9,13,19H,7,10,16H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyYUKGGHQIZSGIOD-ZDUSSCGKSA-N
MW273.34 g/mol
LogP0.94
Rot. Bonds5

About 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide

4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 107861847) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide
PubChem CID107861847
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-18-9-12(16)8-14(18)15(20)17-13(10-19)7-11-5-3-2-4-6-11/h2-6,8-9,13,19H,7,10,16H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyYUKGGHQIZSGIOD-ZDUSSCGKSA-N
XLogP0.94
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107861204
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-propylpyrrole-2-carboxamide
CID 107863497
5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260701
5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide
CID 107861835
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide
CID 107860614
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861126
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide (CID 107861847) is 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is YUKGGHQIZSGIOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-9-12(16)8-14(18)15(20)17-13(10-19)7-11-5-3-2-4-6-11/h2-6,8-9,13,19H,7,10,16H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 107861847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).