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

C15H20N2O3 — CID 104902044

IUPAC(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
SMILESNC1(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)CCC1
InChIInChI=1S/C15H20N2O3/c16-15(7-4-8-15)10-13(18)17-12(14(19)20)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,16H2,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyIOQCVNTVJRTUKV-GFCCVEGCSA-N
MW276.34 g/mol
LogP1.07
Rot. Bonds6

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

(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 104902044) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
PubChem CID104902044
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid
SMILESNC1(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)CCC1
InChIInChI=1S/C15H20N2O3/c16-15(7-4-8-15)10-13(18)17-12(14(19)20)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,16H2,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyIOQCVNTVJRTUKV-GFCCVEGCSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-hydroxypropanoic acid
CID 79854103
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869046
(2S)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 79854627
(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoic acid;hydrobromide
CID 70545429
2-(1-aminocyclobutyl)-N-(1-phenylethyl)acetamide
CID 79851717
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
2-[[2-(2,2-dichloro-1-methylcyclopropyl)acetyl]amino]-3-phenylpropanoic acid
CID 166299573
(2R)-2-[(3-aminooxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103869030
2-amino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
CID 67821548
2-[(2-formamidoacetyl)amino]-3-phenylpropanoic acid
CID 86010429
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 115452993
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid (CID 104902044) is (2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid is NC1(CC(=O)N[C@H](Cc2ccccc2)C(=O)O)CCC1.
What is the InChIKey of (2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is IOQCVNTVJRTUKV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-15(7-4-8-15)10-13(18)17-12(14(19)20)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,16H2,(H,17,18)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(1-aminocyclobutyl)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 104902044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).