3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid

C21H20N2O3 — CID 167841934

IUPAC3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cc2cc(-c3ccccc3)ccc2[nH]1)C1CC1
InChIInChI=1S/C21H20N2O3/c24-20(25)12-18(14-6-7-14)23-21(26)19-11-16-10-15(8-9-17(16)22-19)13-4-2-1-3-5-13/h1-5,8-11,14,18,22H,6-7,12H2,(H,23,26)(H,24,25)
InChIKeyOIKFRKSROSLVQX-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.82
Rot. Bonds6

About 3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid

3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid (PubChem CID 167841934) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid
PubChem CID167841934
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cc2cc(-c3ccccc3)ccc2[nH]1)C1CC1
InChIInChI=1S/C21H20N2O3/c24-20(25)12-18(14-6-7-14)23-21(26)19-11-16-10-15(8-9-17(16)22-19)13-4-2-1-3-5-13/h1-5,8-11,14,18,22H,6-7,12H2,(H,23,26)(H,24,25)
InChIKeyOIKFRKSROSLVQX-UHFFFAOYSA-N
XLogP3.82
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90094076
3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 75429233
(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
CID 107823080
N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 6722885
3-cyclopropyl-3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343445
2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid
CID 62695160
N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 3618702
3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81362129
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
N-(2-amino-1-phenylprop-2-enyl)-1H-indole-2-carboxamide
CID 70373696

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid (CID 167841934) is 3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid is O=C(O)CC(NC(=O)c1cc2cc(-c3ccccc3)ccc2[nH]1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid?
The InChIKey is OIKFRKSROSLVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20(25)12-18(14-6-7-14)23-21(26)19-11-16-10-15(8-9-17(16)22-19)13-4-2-1-3-5-13/h1-5,8-11,14,18,22H,6-7,12H2,(H,23,26)(H,24,25).
What are the key properties of 3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid?
3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid has a molecular weight of 348.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 167841934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).