3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid

C15H20N2O3 — CID 79854454

IUPAC3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
SMILESNC1(CC(=O)NC(CC(=O)O)c2ccccc2)CCC1
InChIInChI=1S/C15H20N2O3/c16-15(7-4-8-15)10-13(18)17-12(9-14(19)20)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,16H2,(H,17,18)(H,19,20)
InChIKeyHAPQTZLSGFCLNL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.59
Rot. Bonds6

About 3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid

3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 79854454) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
PubChem CID79854454
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
SMILESNC1(CC(=O)NC(CC(=O)O)c2ccccc2)CCC1
InChIInChI=1S/C15H20N2O3/c16-15(7-4-8-15)10-13(18)17-12(9-14(19)20)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,16H2,(H,17,18)(H,19,20)
InChIKeyHAPQTZLSGFCLNL-UHFFFAOYSA-N
XLogP1.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(1-aminocyclopentyl)acetyl]amino]-3-phenylpropanoic acid
CID 64679597
2-(1-aminocyclobutyl)-N-(1-phenylethyl)acetamide
CID 79851717
(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
CID 104902044
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
3-[[2-(1-aminocyclopentyl)acetyl]amino]-2-phenylpropanoic acid
CID 64679346
3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61159316
N-(2-amino-1-phenylethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558356
2-(1-aminocyclobutyl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371808
2-(1-aminocyclobutyl)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81405144
2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-phenylacetamide
CID 111430361
2-[1-(aminomethyl)cyclohexyl]-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862841
2-(1-aminocyclobutyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 81379814

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid (CID 79854454) is 3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid is NC1(CC(=O)NC(CC(=O)O)c2ccccc2)CCC1.
What is the InChIKey of 3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is HAPQTZLSGFCLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-15(7-4-8-15)10-13(18)17-12(9-14(19)20)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,16H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid?
3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 79854454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).