2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid

C17H32N4O4 — CID 122001579

IUPAC2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NCC2CCCN2CCOC)C1
InChIInChI=1S/C17H32N4O4/c1-3-20(12-16(22)23)15-9-13(10-15)19-17(24)18-11-14-5-4-6-21(14)7-8-25-2/h13-15H,3-12H2,1-2H3,(H,22,23)(H2,18,19,24)
InChIKeyGLAZMWKSSUJCDC-UHFFFAOYSA-N
MW356.47 g/mol
LogP0.33
Rot. Bonds10

About 2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122001579) has the molecular formula C17H32N4O4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122001579
Molecular FormulaC17H32N4O4
Molecular Weight356.47 g/mol
Exact Mass356.24
IUPAC Name2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)NCC2CCCN2CCOC)C1
InChIInChI=1S/C17H32N4O4/c1-3-20(12-16(22)23)15-9-13(10-15)19-17(24)18-11-14-5-4-6-21(14)7-8-25-2/h13-15H,3-12H2,1-2H3,(H,22,23)(H2,18,19,24)
InChIKeyGLAZMWKSSUJCDC-UHFFFAOYSA-N
XLogP0.33
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[[(2S)-1-propylpyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122014146
2-[ethyl-[3-(thian-4-ylmethylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122002068
2-[ethyl-[3-[[2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026142
2-[[3-[(2,3-dimethylcyclohexyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122012717
2-[[3-[(2,2-dimethylcyclopropyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122001969
2-[[3-[(1-cyclopropylcyclobutyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122007560
2-[ethyl-[3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122016603
2-[ethyl-[3-(2-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122014845
2-[[1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122001416
2-[ethyl-[3-(3-methoxybutylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122000048
2-[[3-[(2-cyclopentyl-2-methylpropyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122007740
2-[ethyl-[3-[(1-methylcyclopropyl)methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122005006

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid (CID 122001579) is 2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)NCC2CCCN2CCOC)C1.
What is the InChIKey of 2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is GLAZMWKSSUJCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4/c1-3-20(12-16(22)23)15-9-13(10-15)19-17(24)18-11-14-5-4-6-21(14)7-8-25-2/h13-15H,3-12H2,1-2H3,(H,22,23)(H2,18,19,24).
What are the key properties of 2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 356.47 g/mol, XLogP of 0.33, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methylcarbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122001579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).