2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid

C18H28N4O3 — CID 122025461

IUPAC2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(CC)C(C)c2cccnc2)C1
InChIInChI=1S/C18H28N4O3/c1-4-21(12-17(23)24)16-9-15(10-16)20-18(25)22(5-2)13(3)14-7-6-8-19-11-14/h6-8,11,13,15-16H,4-5,9-10,12H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyLZDMHCOCXSJAEX-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.11
Rot. Bonds8

About 2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122025461) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid
PubChem CID122025461
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(CC)C(C)c2cccnc2)C1
InChIInChI=1S/C18H28N4O3/c1-4-21(12-17(23)24)16-9-15(10-16)20-18(25)22(5-2)13(3)14-7-6-8-19-11-14/h6-8,11,13,15-16H,4-5,9-10,12H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyLZDMHCOCXSJAEX-UHFFFAOYSA-N
XLogP2.11
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid
CID 129333452
2-[ethyl-[3-[(2-methoxy-2-phenylacetyl)amino]cyclobutyl]amino]acetic acid
CID 128967528
2-[ethyl-[3-[2-(pyridin-3-ylsulfonylamino)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122007291
2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025640
2-[ethyl-[3-[1-(4-pyridin-4-ylphenyl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122004710
2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
4-[[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]methyl]benzoic acid
CID 122021129
2-[ethyl-[3-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122002450
2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027054
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
1-ethyl-3-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95628753
2-[[3-[(3-chloro-2-pyridinyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122062041

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid (CID 122025461) is 2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N(CC)C(C)c2cccnc2)C1.
What is the InChIKey of 2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is LZDMHCOCXSJAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-4-21(12-17(23)24)16-9-15(10-16)20-18(25)22(5-2)13(3)14-7-6-8-19-11-14/h6-8,11,13,15-16H,4-5,9-10,12H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 348.45 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122025461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).