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

C12H18N2O2S — CID 63019783

IUPAC2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid
SMILESCc1ncc(CN(CC(=O)O)C2CCCC2)s1
InChIInChI=1S/C12H18N2O2S/c1-9-13-6-11(17-9)7-14(8-12(15)16)10-4-2-3-5-10/h6,10H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyCSUOIBSQPCSNAO-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.28
Rot. Bonds5

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

2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid (PubChem CID 63019783) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid
PubChem CID63019783
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid
SMILESCc1ncc(CN(CC(=O)O)C2CCCC2)s1
InChIInChI=1S/C12H18N2O2S/c1-9-13-6-11(17-9)7-14(8-12(15)16)10-4-2-3-5-10/h6,10H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyCSUOIBSQPCSNAO-UHFFFAOYSA-N
XLogP2.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid (CID 63019783) is 2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid is Cc1ncc(CN(CC(=O)O)C2CCCC2)s1.
What is the InChIKey of 2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid?
The InChIKey is CSUOIBSQPCSNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-13-6-11(17-9)7-14(8-12(15)16)10-4-2-3-5-10/h6,10H,2-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid?
2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid has a molecular weight of 254.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 63019783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).