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

C21H34N4O2 — CID 122041756

IUPAC2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCn1cc(CNC2CC(N(CC(=O)O)CC3CC3)C2)c(C2CCCCC2)n1
InChIInChI=1S/C21H34N4O2/c1-24-13-17(21(23-24)16-5-3-2-4-6-16)11-22-18-9-19(10-18)25(14-20(26)27)12-15-7-8-15/h13,15-16,18-19,22H,2-12,14H2,1H3,(H,26,27)
InChIKeyCHMWIENWOLXTCB-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.88
Rot. Bonds9

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

2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 122041756) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID122041756
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
SMILESCn1cc(CNC2CC(N(CC(=O)O)CC3CC3)C2)c(C2CCCCC2)n1
InChIInChI=1S/C21H34N4O2/c1-24-13-17(21(23-24)16-5-3-2-4-6-16)11-22-18-9-19(10-18)25(14-20(26)27)12-15-7-8-15/h13,15-16,18-19,22H,2-12,14H2,1H3,(H,26,27)
InChIKeyCHMWIENWOLXTCB-UHFFFAOYSA-N
XLogP2.88
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid with MolForge

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Related Compounds

2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042608
methyl 4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 75503439
2-[cyclopropylmethyl-[3-[(2,3-dimethylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041681
2-[[3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041573
2-[cyclopropylmethyl-[3-[(6-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041774
2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid
CID 122041364
2-[ethyl-[3-[(1-methyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122042755
2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid
CID 122041559
2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041579
2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 167867722
2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041267
2-[cyclopropylmethyl-[3-[(2-methoxy-5-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041512

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid (CID 122041756) is 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid is Cn1cc(CNC2CC(N(CC(=O)O)CC3CC3)C2)c(C2CCCCC2)n1.
What is the InChIKey of 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is CHMWIENWOLXTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-24-13-17(21(23-24)16-5-3-2-4-6-16)11-22-18-9-19(10-18)25(14-20(26)27)12-15-7-8-15/h13,15-16,18-19,22H,2-12,14H2,1H3,(H,26,27).
What are the key properties of 2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 374.53 g/mol, XLogP of 2.88, 9 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]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 122041756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).