benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate

C19H26N2O4 — CID 176956084

IUPACbenzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate
SMILESC[C@H](NC(=O)CN1CCC2(CC1)COC2)C(=O)OCc1ccccc1
InChIInChI=1S/C19H26N2O4/c1-15(18(23)25-12-16-5-3-2-4-6-16)20-17(22)11-21-9-7-19(8-10-21)13-24-14-19/h2-6,15H,7-14H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyZJMVPYSKUFUIEE-HNNXBMFYSA-N
MW346.43 g/mol
LogP1.35
Rot. Bonds6

About benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate

benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate (PubChem CID 176956084) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate
PubChem CID176956084
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namebenzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate
SMILESC[C@H](NC(=O)CN1CCC2(CC1)COC2)C(=O)OCc1ccccc1
InChIInChI=1S/C19H26N2O4/c1-15(18(23)25-12-16-5-3-2-4-6-16)20-17(22)11-21-9-7-19(8-10-21)13-24-14-19/h2-6,15H,7-14H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyZJMVPYSKUFUIEE-HNNXBMFYSA-N
XLogP1.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate with MolForge

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Related Compounds

benzyl (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate;methane;methanol;2-morpholin-4-ylacetic acid;(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid
CID 157257286
benzyl (2S)-4-methyl-2-[[2-[16-[2-[[(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl]amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]pentanoate
CID 99662039
benzyl (2S)-3-(difluoromethoxy)-2-[[(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoyl]amino]propanoate
CID 118247954
benzyl 3-(difluoromethoxy)-2-[[2-[[3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoate
CID 123235425
(3R)-3-amino-4-oxo-4-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]butanoic acid
CID 102425705
benzyl (2S)-2-[[(2S)-2-isocyanopropanoyl]amino]propanoate
CID 102036636
2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 71649736
benzyl (2S)-2-[[(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]-3-phenylpropanoate
CID 118247689
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate
CID 16742166
3-[4-(methoxymethyl)phenyl]-2-[[(2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]propanoic acid
CID 176956106
benzyl 4,4-dimethyl-1,3-oxazolidine-3-carboxylate
CID 110740655
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate;hydrochloride
CID 16742165

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate?
The IUPAC name of benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate (CID 176956084) is benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate.
What is the SMILES notation for benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate?
The canonical SMILES for benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate is C[C@H](NC(=O)CN1CCC2(CC1)COC2)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate?
The InChIKey is ZJMVPYSKUFUIEE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-15(18(23)25-12-16-5-3-2-4-6-16)20-17(22)11-21-9-7-19(8-10-21)13-24-14-19/h2-6,15H,7-14H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate?
benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate has a molecular weight of 346.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)acetyl]amino]propanoate is sourced from PubChem (CID 176956084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).