2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid

C20H30N4O4 — CID 122025536

IUPAC2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NC(Cc2ccccc2)C(=O)N(C)C)C1
InChIInChI=1S/C20H30N4O4/c1-4-24(13-18(25)26)16-11-15(12-16)21-20(28)22-17(19(27)23(2)3)10-14-8-6-5-7-9-14/h5-9,15-17H,4,10-13H2,1-3H3,(H,25,26)(H2,21,22,28)
InChIKeySPOZKAQGKAFGNX-UHFFFAOYSA-N
MW390.48 g/mol
LogP0.92
Rot. Bonds9

About 2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122025536) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122025536
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NC(Cc2ccccc2)C(=O)N(C)C)C1
InChIInChI=1S/C20H30N4O4/c1-4-24(13-18(25)26)16-11-15(12-16)21-20(28)22-17(19(27)23(2)3)10-14-8-6-5-7-9-14/h5-9,15-17H,4,10-13H2,1-3H3,(H,25,26)(H2,21,22,28)
InChIKeySPOZKAQGKAFGNX-UHFFFAOYSA-N
XLogP0.92
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[[3-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122014573
2-[ethyl-[3-[(2-methyl-3-phenylpropyl)amino]cyclobutyl]amino]acetic acid
CID 122042670
2-[ethyl-[3-[[1-hydroxy-3-(2-methylphenyl)propan-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122026092
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
2-[ethyl-[3-[[(2S)-1-[methyl(propan-2-yl)amino]propan-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122014720
2-[[3-[[(1R)-1-cyclopropylethyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122026475
2-[ethyl-[3-[[methyl(4-phenylbutyl)carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026881
2-[ethyl-[3-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122005693
2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122015286
2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027054
2-[ethyl-[3-[[1-(3-fluorophenyl)propan-2-yl-methylcarbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026375

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid (CID 122025536) is 2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)NC(Cc2ccccc2)C(=O)N(C)C)C1.
What is the InChIKey of 2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is SPOZKAQGKAFGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-4-24(13-18(25)26)16-11-15(12-16)21-20(28)22-17(19(27)23(2)3)10-14-8-6-5-7-9-14/h5-9,15-17H,4,10-13H2,1-3H3,(H,25,26)(H2,21,22,28).
What are the key properties of 2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 390.48 g/mol, XLogP of 0.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122025536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).