2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid

C16H17N3O3 — CID 129380619

IUPAC2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C16H17N3O3/c1-10-4-2-3-5-11(10)12-8-13(12)16(22)17-14-6-7-19(18-14)9-15(20)21/h2-7,12-13H,8-9H2,1H3,(H,20,21)(H,17,18,22)/t12-,13+/m1/s1
InChIKeyVRGSBFQBYDYVBR-OLZOCXBDSA-N
MW299.33 g/mol
LogP2.02
Rot. Bonds5

About 2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 129380619) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID129380619
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C16H17N3O3/c1-10-4-2-3-5-11(10)12-8-13(12)16(22)17-14-6-7-19(18-14)9-15(20)21/h2-7,12-13H,8-9H2,1H3,(H,20,21)(H,17,18,22)/t12-,13+/m1/s1
InChIKeyVRGSBFQBYDYVBR-OLZOCXBDSA-N
XLogP2.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid (CID 129380619) is 2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid is Cc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is VRGSBFQBYDYVBR-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-4-2-3-5-11(10)12-8-13(12)16(22)17-14-6-7-19(18-14)9-15(20)21/h2-7,12-13H,8-9H2,1H3,(H,20,21)(H,17,18,22)/t12-,13+/m1/s1.
What are the key properties of 2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 299.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 129380619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).