4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide

C14H20N2O3 — CID 107863151

IUPAC4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c15-13-9-19-8-12(13)14(18)16-11(7-17)6-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9,15H2,(H,16,18)/t11-,12?,13?/m0/s1
InChIKeyXQJAWHLDTDKMKQ-HIFPTAJRSA-N
MW264.32 g/mol
LogP-0.32
Rot. Bonds5

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

4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide (PubChem CID 107863151) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide
PubChem CID107863151
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c15-13-9-19-8-12(13)14(18)16-11(7-17)6-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9,15H2,(H,16,18)/t11-,12?,13?/m0/s1
InChIKeyXQJAWHLDTDKMKQ-HIFPTAJRSA-N
XLogP-0.32
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66235478
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-(methylamino)oxolane-3-carboxamide
CID 107860965
4-(ethylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66260077
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824862
4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66240011
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopent-2-ene-1-carboxamide
CID 107863124
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]morpholine-3-carboxamide
CID 107861025
4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide
CID 66238425
4-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66263893
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide (CID 107863151) is 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide is NC1COCC1C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide?
The InChIKey is XQJAWHLDTDKMKQ-HIFPTAJRSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-13-9-19-8-12(13)14(18)16-11(7-17)6-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9,15H2,(H,16,18)/t11-,12?,13?/m0/s1.
What are the key properties of 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide?
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 107863151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).