3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide

C12H18N2O3 — CID 106114237

IUPAC3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H18N2O3/c1-17-11(7-13)12(16)14-10(8-15)9-5-3-2-4-6-9/h2-6,10-11,15H,7-8,13H2,1H3,(H,14,16)/t10-,11?/m0/s1
InChIKeyVPNZMMDLQRGISV-VUWPPUDQSA-N
MW238.29 g/mol
LogP-0.19
Rot. Bonds6

About 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide

3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide (PubChem CID 106114237) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide
PubChem CID106114237
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C12H18N2O3/c1-17-11(7-13)12(16)14-10(8-15)9-5-3-2-4-6-9/h2-6,10-11,15H,7-8,13H2,1H3,(H,14,16)/t10-,11?/m0/s1
InChIKeyVPNZMMDLQRGISV-VUWPPUDQSA-N
XLogP-0.19
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
N-(2-amino-1-phenylethyl)-2-methoxy-2-phenylacetamide
CID 63755766
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 107863311
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide
CID 81080405
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]-4-phenylbutanoic acid
CID 106114004

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide (CID 106114237) is 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide is COC(CN)C(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide?
The InChIKey is VPNZMMDLQRGISV-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-11(7-13)12(16)14-10(8-15)9-5-3-2-4-6-9/h2-6,10-11,15H,7-8,13H2,1H3,(H,14,16)/t10-,11?/m0/s1.
What are the key properties of 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide?
3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide has a molecular weight of 238.29 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxypropanamide is sourced from PubChem (CID 106114237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).