2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid

C15H24N6O3 — CID 122089023

IUPAC2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2nccc(N(C)C)n2)C1
InChIInChI=1S/C15H24N6O3/c1-4-21(9-13(22)23)11-7-10(8-11)17-15(24)19-14-16-6-5-12(18-14)20(2)3/h5-6,10-11H,4,7-9H2,1-3H3,(H,22,23)(H2,16,17,18,19,24)
InChIKeyTVZHUKIZUXSGFM-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.60
Rot. Bonds7

About 2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122089023) has the molecular formula C15H24N6O3 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122089023
Molecular FormulaC15H24N6O3
Molecular Weight336.40 g/mol
Exact Mass336.19
IUPAC Name2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2nccc(N(C)C)n2)C1
InChIInChI=1S/C15H24N6O3/c1-4-21(9-13(22)23)11-7-10(8-11)17-15(24)19-14-16-6-5-12(18-14)20(2)3/h5-6,10-11H,4,7-9H2,1-3H3,(H,22,23)(H2,16,17,18,19,24)
InChIKeyTVZHUKIZUXSGFM-UHFFFAOYSA-N
XLogP0.60
TPSA110.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089391
2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122094279
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
2-[ethyl-[3-[(4-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073470
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[[3-[(4-tert-butylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061674
2-[[3-(1-benzofuran-6-ylcarbamoylamino)cyclobutyl]-ethylamino]acetic acid
CID 122094518
2-[ethyl-[3-[(4-ethyl-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122087509
2-[ethyl-[3-[(3-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073438
2-[ethyl-[3-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122084973
2-[[3-[[2,4-di(propan-2-yl)phenyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122075668
2-[ethyl-[3-[(2-pyrazol-1-ylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122076188

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid (CID 122089023) is 2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Nc2nccc(N(C)C)n2)C1.
What is the InChIKey of 2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is TVZHUKIZUXSGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3/c1-4-21(9-13(22)23)11-7-10(8-11)17-15(24)19-14-16-6-5-12(18-14)20(2)3/h5-6,10-11H,4,7-9H2,1-3H3,(H,22,23)(H2,16,17,18,19,24).
What are the key properties of 2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 336.40 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[4-(dimethylamino)pyrimidin-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122089023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).