methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate

C17H23NO4 — CID 124736388

IUPACmethyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C[C@H]1CCOC1
InChIInChI=1S/C17H23NO4/c1-13(17(20)21-2)18(11-14-6-4-3-5-7-14)16(19)10-15-8-9-22-12-15/h3-7,13,15H,8-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyOYGZGOHJEQADNK-DZGCQCFKSA-N
MW305.37 g/mol
LogP2.00
Rot. Bonds6

About methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate

methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate (PubChem CID 124736388) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate
PubChem CID124736388
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C[C@H]1CCOC1
InChIInChI=1S/C17H23NO4/c1-13(17(20)21-2)18(11-14-6-4-3-5-7-14)16(19)10-15-8-9-22-12-15/h3-7,13,15H,8-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyOYGZGOHJEQADNK-DZGCQCFKSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[acetyl(benzyl)amino]propanoate
CID 75437880
methyl 2-[2-aminopropanoyl(benzyl)amino]propanoate
CID 76625736
methyl 2-[benzyl-(4-oxo-6-trimethylsilylhex-5-ynoyl)amino]propanoate
CID 10499615
methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 14200640
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-[(3R)-oxolan-3-yl]acetamide
CID 125462794
3-[(4-aminophenyl)methyl-(1-methoxy-1-oxopropan-2-yl)amino]-3-oxopropanoic acid
CID 70484235
N-methyl-N-(oxolan-3-ylmethyl)-2-phenylacetamide
CID 110875875
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
4-amino-N-benzyl-N-(oxan-4-ylmethyl)pentanamide
CID 120562594
(3R)-N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]oxolane-3-carboxamide
CID 52849838
2-[benzyl(methyl)amino]-N-[3-[[(3S)-oxolan-3-yl]methoxy]propyl]acetamide
CID 95635358
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate (CID 124736388) is methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate is COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C[C@H]1CCOC1.
What is the InChIKey of methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate?
The InChIKey is OYGZGOHJEQADNK-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13(17(20)21-2)18(11-14-6-4-3-5-7-14)16(19)10-15-8-9-22-12-15/h3-7,13,15H,8-12H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate?
methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate has a molecular weight of 305.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[benzyl-[2-[(3R)-oxolan-3-yl]acetyl]amino]propanoate is sourced from PubChem (CID 124736388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).