2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid

C19H32N4O2 — CID 122042608

IUPAC2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2cn(C)nc2C2CCCCC2)C1
InChIInChI=1S/C19H32N4O2/c1-3-23(13-18(24)25)17-9-16(10-17)20-11-15-12-22(2)21-19(15)14-7-5-4-6-8-14/h12,14,16-17,20H,3-11,13H2,1-2H3,(H,24,25)
InChIKeyHVCGVMAZLWNQAM-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.49
Rot. Bonds8

About 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122042608) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122042608
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2cn(C)nc2C2CCCCC2)C1
InChIInChI=1S/C19H32N4O2/c1-3-23(13-18(24)25)17-9-16(10-17)20-11-15-12-22(2)21-19(15)14-7-5-4-6-8-14/h12,14,16-17,20H,3-11,13H2,1-2H3,(H,24,25)
InChIKeyHVCGVMAZLWNQAM-UHFFFAOYSA-N
XLogP2.49
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041756
2-[ethyl-[3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122042755
methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 75503439
2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042459
2-[[3-(3-cyclohexylpropylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042436
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[[3-[(4-chloro-2,6-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042830
2-[[3-[(2-chloro-6-ethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042412
2-[[3-[(5-bromo-1,3-thiazol-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042657
2-[ethyl-[3-[(5-fluoro-2-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042676
2-[[3-[(4-cyclohexylphenyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122015243
2-[[3-[(3,5-dimethyl-1-propylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122041980

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid (CID 122042608) is 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NCc2cn(C)nc2C2CCCCC2)C1.
What is the InChIKey of 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is HVCGVMAZLWNQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-23(13-18(24)25)17-9-16(10-17)20-11-15-12-22(2)21-19(15)14-7-5-4-6-8-14/h12,14,16-17,20H,3-11,13H2,1-2H3,(H,24,25).
What are the key properties of 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 348.49 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122042608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).