2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid

C16H24N4O3 — CID 167867722

IUPAC2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
SMILESCc1cc(C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)n(C)n1
InChIInChI=1S/C16H24N4O3/c1-10-5-14(19(2)18-10)16(23)17-12-6-13(7-12)20(9-15(21)22)8-11-3-4-11/h5,11-13H,3-4,6-9H2,1-2H3,(H,17,23)(H,21,22)
InChIKeyCPADHHPVXFVQFM-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.79
Rot. Bonds7

About 2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid (PubChem CID 167867722) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
PubChem CID167867722
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
SMILESCc1cc(C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)n(C)n1
InChIInChI=1S/C16H24N4O3/c1-10-5-14(19(2)18-10)16(23)17-12-6-13(7-12)20(9-15(21)22)8-11-3-4-11/h5,11-13H,3-4,6-9H2,1-2H3,(H,17,23)(H,21,22)
InChIKeyCPADHHPVXFVQFM-UHFFFAOYSA-N
XLogP0.79
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid (CID 167867722) is 2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid is Cc1cc(C(=O)NC2CC(N(CC(=O)O)CC3CC3)C2)n(C)n1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is CPADHHPVXFVQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10-5-14(19(2)18-10)16(23)17-12-6-13(7-12)20(9-15(21)22)8-11-3-4-11/h5,11-13H,3-4,6-9H2,1-2H3,(H,17,23)(H,21,22).
What are the key properties of 2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 320.39 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 167867722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).