2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid

C17H24N2O4 — CID 129333452

IUPAC2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)[C@@H](OC)c2ccccc2)C1
InChIInChI=1S/C17H24N2O4/c1-3-19(11-15(20)21)14-9-13(10-14)18-17(22)16(23-2)12-7-5-4-6-8-12/h4-8,13-14,16H,3,9-11H2,1-2H3,(H,18,22)(H,20,21)/t13?,14?,16-/m0/s1
InChIKeyFQYZGIZWFSMWFR-XUJLQICISA-N
MW320.39 g/mol
LogP1.43
Rot. Bonds8

About 2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 129333452) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid
PubChem CID129333452
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)[C@@H](OC)c2ccccc2)C1
InChIInChI=1S/C17H24N2O4/c1-3-19(11-15(20)21)14-9-13(10-14)18-17(22)16(23-2)12-7-5-4-6-8-12/h4-8,13-14,16H,3,9-11H2,1-2H3,(H,18,22)(H,20,21)/t13?,14?,16-/m0/s1
InChIKeyFQYZGIZWFSMWFR-XUJLQICISA-N
XLogP1.43
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[(2-methoxy-2-phenylacetyl)amino]cyclobutyl]amino]acetic acid
CID 128967528
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[[3-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122026644
2-[ethyl-[3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122025491
2-[ethyl-[3-[[ethyl(1-pyridin-3-ylethyl)carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025461
2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
2-[ethyl-[3-(2-methylsulfonylanilino)cyclobutyl]amino]acetic acid
CID 122062146
2-[ethyl-[3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122084823
2-[ethyl-[3-[[2-(trifluoromethylsulfanyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122077004
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
2-[ethyl-[3-[(2-propan-2-yloxyphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042512

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid (CID 129333452) is 2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)[C@@H](OC)c2ccccc2)C1.
What is the InChIKey of 2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is FQYZGIZWFSMWFR-XUJLQICISA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-19(11-15(20)21)14-9-13(10-14)18-17(22)16(23-2)12-7-5-4-6-8-12/h4-8,13-14,16H,3,9-11H2,1-2H3,(H,18,22)(H,20,21)/t13?,14?,16-/m0/s1.
What are the key properties of 2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 320.39 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[(2S)-2-methoxy-2-phenylacetyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 129333452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).