2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid

C14H21N3O2 — CID 122061757

IUPAC2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2ccnc(C)c2)C1
InChIInChI=1S/C14H21N3O2/c1-3-17(9-14(18)19)13-7-12(8-13)16-11-4-5-15-10(2)6-11/h4-6,12-13H,3,7-9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyJJGBXDIILBTMET-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.74
Rot. Bonds6

About 2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid (PubChem CID 122061757) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid
PubChem CID122061757
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(Nc2ccnc(C)c2)C1
InChIInChI=1S/C14H21N3O2/c1-3-17(9-14(18)19)13-7-12(8-13)16-11-4-5-15-10(2)6-11/h4-6,12-13H,3,7-9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyJJGBXDIILBTMET-UHFFFAOYSA-N
XLogP1.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclobutyl]amino]acetic acid
CID 122061711
2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061674
2-[ethyl-[3-(furo[3,2-c]pyridin-4-ylamino)cyclobutyl]amino]acetic acid
CID 122061885
2-[[3-[(3-chloro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062041
2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061743
2-[ethyl-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclobutyl]amino]acetic acid
CID 122061635
2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061794
2-[[3-[(4-ethoxycarbonyl-3-nitro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062067
2-[ethyl-[3-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122002450
2-[[3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122061797
2-[ethyl-[3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]cyclobutyl]amino]acetic acid
CID 122061894
2-[[3-[(7-bromoquinazolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061609

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid (CID 122061757) is 2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(Nc2ccnc(C)c2)C1.
What is the InChIKey of 2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is JJGBXDIILBTMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(9-14(18)19)13-7-12(8-13)16-11-4-5-15-10(2)6-11/h4-6,12-13H,3,7-9H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(2-methyl-4-pyridinyl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122061757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).