(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid

C15H19NO4 — CID 104979108

IUPAC(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESCC1CC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CO1
InChIInChI=1S/C15H19NO4/c1-10-7-12(9-20-10)14(17)16-13(15(18)19)8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19)/t10?,12?,13-/m1/s1
InChIKeyOVUAUVHYGDEATH-KGPNIALWSA-N
MW277.32 g/mol
LogP1.22
Rot. Bonds5

About (2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid

(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 104979108) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID104979108
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESCC1CC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CO1
InChIInChI=1S/C15H19NO4/c1-10-7-12(9-20-10)14(17)16-13(15(18)19)8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19)/t10?,12?,13-/m1/s1
InChIKeyOVUAUVHYGDEATH-KGPNIALWSA-N
XLogP1.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(4-hydroxyphenyl)-2-[(5-methyloxolane-3-carbonyl)amino]propanoic acid
CID 104979109
(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 104979103
(2R)-2-[(3-methyloxolane-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104901954
(2S)-2-[(2-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 79750162
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
N-(2-amino-1-phenylethyl)-5-methyloxolane-3-carboxamide
CID 114823482
(2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid
CID 103804303
(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
ethanol;(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
CID 68836892
(2R)-2-[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]-3-phenylpropanoic acid
CID 93306016

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid (CID 104979108) is (2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid is CC1CC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CO1.
What is the InChIKey of (2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is OVUAUVHYGDEATH-KGPNIALWSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-7-12(9-20-10)14(17)16-13(15(18)19)8-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19)/t10?,12?,13-/m1/s1.
What are the key properties of (2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid?
(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 104979108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).