(2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid

C14H18N4O3 — CID 104894146

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCC(C)n1cccc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C14H18N4O3/c1-9(2)18-5-3-4-12(18)13(19)17-11(14(20)21)6-10-7-15-8-16-10/h3-5,7-9,11H,6H2,1-2H3,(H,15,16)(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeyGOEZNYOJSFWFKZ-LLVKDONJSA-N
MW290.32 g/mol
LogP1.22
Rot. Bonds6

About (2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 104894146) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID104894146
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCC(C)n1cccc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C14H18N4O3/c1-9(2)18-5-3-4-12(18)13(19)17-11(14(20)21)6-10-7-15-8-16-10/h3-5,7-9,11H,6H2,1-2H3,(H,15,16)(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeyGOEZNYOJSFWFKZ-LLVKDONJSA-N
XLogP1.22
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 65231406
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3-(1H-imidazol-5-yl)-2-[(4-methylbenzoyl)amino]propanoic acid
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(2R)-3-(1H-imidazol-5-yl)-2-(pyridine-3-carbonylamino)propanoic acid
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2-[(4-hydroxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
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2-(furan-2-carbonylamino)-3-(1H-imidazol-5-yl)propanoic acid
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(2R)-3-(1H-imidazol-5-yl)-2-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
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2-[(4-bromobenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
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(2S)-3-(1H-imidazol-5-yl)-2-[(4-methoxybenzoyl)amino]propanoic acid
CID 697445
(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 28742442
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid (CID 104894146) is (2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid is CC(C)n1cccc1C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is GOEZNYOJSFWFKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(2)18-5-3-4-12(18)13(19)17-11(14(20)21)6-10-7-15-8-16-10/h3-5,7-9,11H,6H2,1-2H3,(H,15,16)(H,17,19)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-[(1-propan-2-ylpyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 104894146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).