4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid

C15H20N2O4 — CID 115292457

IUPAC4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid
SMILESN[C@H](Cc1ccccc1)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H20N2O4/c16-12(10-11-4-2-1-3-5-11)13(18)17-15(14(19)20)6-8-21-9-7-15/h1-5,12H,6-10,16H2,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyYWURKQGAABMEEP-GFCCVEGCSA-N
MW292.33 g/mol
LogP0.31
Rot. Bonds5

About 4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid

4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid (PubChem CID 115292457) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid
PubChem CID115292457
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid
SMILESN[C@H](Cc1ccccc1)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H20N2O4/c16-12(10-11-4-2-1-3-5-11)13(18)17-15(14(19)20)6-8-21-9-7-15/h1-5,12H,6-10,16H2,(H,17,18)(H,19,20)/t12-/m1/s1
InChIKeyYWURKQGAABMEEP-GFCCVEGCSA-N
XLogP0.31
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3-phenylpropanamide
CID 81130811
1-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 76894205
N-(1-acetylcyclohexyl)-2-amino-3-phenylpropanamide
CID 20668330
methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate
CID 10587559
1-[(2-amino-4-phenylbutanoyl)amino]cyclobutane-1-carboxylic acid
CID 114929079
(2S)-2-[[4-[[(2S)-2-aminopropanoyl]amino]oxane-4-carbonyl]amino]-3-phenylpropanoic acid
CID 101394377
4-[(2-amino-3-methoxypropanoyl)amino]oxane-4-carboxylic acid
CID 115292421
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
(2R)-2-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
CID 104866236
4-[[2-[2-(aminomethyl)phenyl]acetyl]amino]oxane-4-carboxylic acid
CID 115292476
3-[[(2S)-2-amino-2-phenylacetyl]amino]oxolane-3-carboxylic acid
CID 104897993
4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292784

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid (CID 115292457) is 4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid is N[C@H](Cc1ccccc1)C(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid?
The InChIKey is YWURKQGAABMEEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-12(10-11-4-2-1-3-5-11)13(18)17-15(14(19)20)6-8-21-9-7-15/h1-5,12H,6-10,16H2,(H,17,18)(H,19,20)/t12-/m1/s1.
What are the key properties of 4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid?
4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).