2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

C15H22N2O3S — CID 61070761

IUPAC2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1ncc(CN(C)C(=O)CC2(CC(=O)O)CCCC2)s1
InChIInChI=1S/C15H22N2O3S/c1-11-16-9-12(21-11)10-17(2)13(18)7-15(8-14(19)20)5-3-4-6-15/h9H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyCOHDOPWXVRAYRM-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.84
Rot. Bonds6

About 2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61070761) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61070761
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1ncc(CN(C)C(=O)CC2(CC(=O)O)CCCC2)s1
InChIInChI=1S/C15H22N2O3S/c1-11-16-9-12(21-11)10-17(2)13(18)7-15(8-14(19)20)5-3-4-6-15/h9H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyCOHDOPWXVRAYRM-UHFFFAOYSA-N
XLogP2.84
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61070761) is 2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is Cc1ncc(CN(C)C(=O)CC2(CC(=O)O)CCCC2)s1.
What is the InChIKey of 2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is COHDOPWXVRAYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-16-9-12(21-11)10-17(2)13(18)7-15(8-14(19)20)5-3-4-6-15/h9H,3-8,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 310.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61070761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).