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

C15H23N3O2S — CID 122041267

IUPAC2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid
SMILESCc1csc(CNC2CC(N(CC(=O)O)CC3CC3)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-10-9-21-14(17-10)6-16-12-4-13(5-12)18(8-15(19)20)7-11-2-3-11/h9,11-13,16H,2-8H2,1H3,(H,19,20)
InChIKeyVCTVSSTWKPUHPD-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.87
Rot. Bonds8

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

2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid (PubChem CID 122041267) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid
PubChem CID122041267
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid
SMILESCc1csc(CNC2CC(N(CC(=O)O)CC3CC3)C2)n1
InChIInChI=1S/C15H23N3O2S/c1-10-9-21-14(17-10)6-16-12-4-13(5-12)18(8-15(19)20)7-11-2-3-11/h9,11-13,16H,2-8H2,1H3,(H,19,20)
InChIKeyVCTVSSTWKPUHPD-UHFFFAOYSA-N
XLogP1.87
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[(4-bromophenyl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041638
2-[cyclopropylmethyl-[3-[(4-methylsulfanylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041592
2-[cyclopropylmethyl-[3-[[2-(2-methylphenyl)phenyl]methylamino]cyclobutyl]amino]acetic acid
CID 122041364
2-[[3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041573
2-[cyclopropylmethyl-[3-[(4-methylthiophen-2-yl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122072051
2-[cyclopropylmethyl-[3-[(3-methylquinoxalin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 122061370
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-dioxothietan-3-amine
CID 131025858
3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587961
2-[[3-[(5-bromo-1,3-thiazol-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042657
2-[cyclopropylmethyl-[3-[(1-ethenylpyrazol-4-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041579
2-[[3-[(3-cyclohexyl-1-methylpyrazol-4-yl)methylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122041756
2-[cyclopropylmethyl-[3-[(6-methoxy-1,3-benzodioxol-5-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122041774

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid (CID 122041267) is 2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid is Cc1csc(CNC2CC(N(CC(=O)O)CC3CC3)C2)n1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid?
The InChIKey is VCTVSSTWKPUHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10-9-21-14(17-10)6-16-12-4-13(5-12)18(8-15(19)20)7-11-2-3-11/h9,11-13,16H,2-8H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid has a molecular weight of 309.44 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122041267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).