N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide

C15H22N2O3 — CID 107860965

IUPACN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-16-14-10-20-9-13(14)15(19)17-12(8-18)7-11-5-3-2-4-6-11/h2-6,12-14,16,18H,7-10H2,1H3,(H,17,19)/t12-,13?,14?/m1/s1
InChIKeyYRMYLDGUSQXGED-IYXRBSQSSA-N
MW278.35 g/mol
LogP-0.06
Rot. Bonds6

About N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 107860965) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID107860965
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-16-14-10-20-9-13(14)15(19)17-12(8-18)7-11-5-3-2-4-6-11/h2-6,12-14,16,18H,7-10H2,1H3,(H,17,19)/t12-,13?,14?/m1/s1
InChIKeyYRMYLDGUSQXGED-IYXRBSQSSA-N
XLogP-0.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66260077
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide
CID 107863151
4-(methylamino)-N-(4-phenylbutan-2-yl)oxolane-3-carboxamide
CID 66265448
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
2-[[4-(methylamino)oxolane-3-carbonyl]amino]-2-phenylacetic acid
CID 66267213
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824862
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]morpholine-3-carboxamide
CID 107861025
N-(1-hydroxy-3-phenylpropan-2-yl)-5-methyloxolane-2-carboxamide
CID 81329667
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-methyloxolane-2-carboxamide
CID 107861447
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779429

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide (CID 107860965) is N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is YRMYLDGUSQXGED-IYXRBSQSSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-14-10-20-9-13(14)15(19)17-12(8-18)7-11-5-3-2-4-6-11/h2-6,12-14,16,18H,7-10H2,1H3,(H,17,19)/t12-,13?,14?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide?
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 107860965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).