4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide

C14H20N2O3 — CID 103951352

IUPAC4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
SMILESNC1(C(=O)N[C@@H](CO)c2ccccc2)CCOCC1
InChIInChI=1S/C14H20N2O3/c15-14(6-8-19-9-7-14)13(18)16-12(10-17)11-4-2-1-3-5-11/h1-5,12,17H,6-10,15H2,(H,16,18)/t12-/m0/s1
InChIKeyKKSKAHXGNLMATQ-LBPRGKRZSA-N
MW264.32 g/mol
LogP0.34
Rot. Bonds4

About 4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide

4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide (PubChem CID 103951352) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
PubChem CID103951352
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
SMILESNC1(C(=O)N[C@@H](CO)c2ccccc2)CCOCC1
InChIInChI=1S/C14H20N2O3/c15-14(6-8-19-9-7-14)13(18)16-12(10-17)11-4-2-1-3-5-11/h1-5,12,17H,6-10,15H2,(H,16,18)/t12-/m0/s1
InChIKeyKKSKAHXGNLMATQ-LBPRGKRZSA-N
XLogP0.34
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
CID 114010313
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103945288
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666
2-[(4-aminooxane-4-carbonyl)amino]-3-phenylpropanoic acid
CID 115294488
4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
3-amino-N-(2-methyl-1-phenylpropyl)oxolane-3-carboxamide
CID 64891316
4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]oxan-4-ol
CID 97342031
1-(hydroxymethylamino)-N-[(1S)-2-hydroxy-1-phenylethyl]cyclohexane-1-carboxamide
CID 143504731
N-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
CID 110001874
4-amino-N-phenylmethoxyoxane-4-carboxamide
CID 115295026

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
The IUPAC name of 4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide (CID 103951352) is 4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide is NC1(C(=O)N[C@@H](CO)c2ccccc2)CCOCC1.
What is the InChIKey of 4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
The InChIKey is KKSKAHXGNLMATQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-14(6-8-19-9-7-14)13(18)16-12(10-17)11-4-2-1-3-5-11/h1-5,12,17H,6-10,15H2,(H,16,18)/t12-/m0/s1.
What are the key properties of 4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide?
4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide is sourced from PubChem (CID 103951352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).