methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate

C18H20N2O5 — CID 9277768

IUPACmethyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H20N2O5/c1-25-18(24)15(11-21)20-17(23)10-19-16(22)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15,21H,9-11H2,1H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyIYIXDMVUAAMHQU-HNNXBMFYSA-N
MW344.37 g/mol
LogP0.15
Rot. Bonds7

About methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate

methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate (PubChem CID 9277768) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate
PubChem CID9277768
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)CNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H20N2O5/c1-25-18(24)15(11-21)20-17(23)10-19-16(22)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15,21H,9-11H2,1H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyIYIXDMVUAAMHQU-HNNXBMFYSA-N
XLogP0.15
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
N-(2,2-dimethoxyethyl)-2-naphthalen-1-ylacetamide
CID 60653057
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46423856
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-(2-amino-2-oxoethyl)-2-naphthalen-1-ylacetamide
CID 9294847
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9164665
(E)-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]hex-4-enoic acid
CID 120692896
(2S)-3-hydroxy-N-(3-methoxyphenyl)-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 6724234
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 9277655

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate (CID 9277768) is methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate is COC(=O)[C@H](CO)NC(=O)CNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate?
The InChIKey is IYIXDMVUAAMHQU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-25-18(24)15(11-21)20-17(23)10-19-16(22)9-13-7-4-6-12-5-2-3-8-14(12)13/h2-8,15,21H,9-11H2,1H3,(H,19,22)(H,20,23)/t15-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate?
methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate has a molecular weight of 344.37 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]propanoate is sourced from PubChem (CID 9277768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).