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

C16H24N4O2 — CID 122041579

IUPAC2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
SMILESC=Cn1cc(CNC2CC(N(CC(=O)O)CC3CC3)C2)cn1
InChIInChI=1S/C16H24N4O2/c1-2-20-10-13(8-18-20)7-17-14-5-15(6-14)19(11-16(21)22)9-12-3-4-12/h2,8,10,12,14-15,17H,1,3-7,9,11H2,(H,21,22)
InChIKeyZNLSPZDAOSDDDS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.40
Rot. Bonds9

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

2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid (PubChem CID 122041579) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
PubChem CID122041579
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
SMILESC=Cn1cc(CNC2CC(N(CC(=O)O)CC3CC3)C2)cn1
InChIInChI=1S/C16H24N4O2/c1-2-20-10-13(8-18-20)7-17-14-5-15(6-14)19(11-16(21)22)9-12-3-4-12/h2,8,10,12,14-15,17H,1,3-7,9,11H2,(H,21,22)
InChIKeyZNLSPZDAOSDDDS-UHFFFAOYSA-N
XLogP1.40
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropylmethyl-[3-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122041427
2-[[3-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041410
2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041638
2-[cyclopropylmethyl-[3-(thiophen-3-ylmethylamino)cyclobutyl]amino]acetic acid
CID 122041559
2-[cyclopropylmethyl-[3-[(4-methylsulfanylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041592
N-[(1-ethenylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 106937339
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylcyclohexan-1-amine
CID 106936940
2-[cyclopropylmethyl-[3-[(2-methylquinolin-6-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041663
2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041267
2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041756
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 106936218
2-[cyclopropylmethyl-[3-[(2,3-dimethylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041681

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid (CID 122041579) is 2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid is C=Cn1cc(CNC2CC(N(CC(=O)O)CC3CC3)C2)cn1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid?
The InChIKey is ZNLSPZDAOSDDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-20-10-13(8-18-20)7-17-14-5-15(6-14)19(11-16(21)22)9-12-3-4-12/h2,8,10,12,14-15,17H,1,3-7,9,11H2,(H,21,22).
What are the key properties of 2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid has a molecular weight of 304.39 g/mol, XLogP of 1.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122041579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).