2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid

C11H16N2O4 — CID 66165599

IUPAC2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCC(C)n1cccc1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-7(2)13-5-3-4-8(13)10(15)12-6-9(14)11(16)17/h3-5,7,9,14H,6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyMQPXQUWSMNCIFU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.24
Rot. Bonds5

About 2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid

2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 66165599) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID66165599
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCC(C)n1cccc1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-7(2)13-5-3-4-8(13)10(15)12-6-9(14)11(16)17/h3-5,7,9,14H,6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyMQPXQUWSMNCIFU-UHFFFAOYSA-N
XLogP0.24
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
2-hydroxy-3-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608949
1-propan-2-yl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 55100628
N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 136529784
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
N-[(2-bromophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61414231
N-(2-azidoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61342881
N-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62500385
3-methoxy-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 81076778
N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 54903835
(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 107833827
N-(3-azidopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61344561

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid (CID 66165599) is 2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid is CC(C)n1cccc1C(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is MQPXQUWSMNCIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(2)13-5-3-4-8(13)10(15)12-6-9(14)11(16)17/h3-5,7,9,14H,6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66165599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).