CID 46192058

C19H27N2O5 — CID 46192058

IUPAC—
SMILESCC1(C)CC(OC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC(C)(C)N1[O]
InChIInChI=1S/C19H27N2O5/c1-18(2)11-14(12-19(3,4)21(18)25)26-17(24)20-15(16(22)23)10-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3,(H,20,24)(H,22,23)/t15-/m0/s1
InChIKeyDBULLDCGDZJMSG-HNNXBMFYSA-N
MW363.43 g/mol
LogP2.78
Rot. Bonds5

About CID 46192058

CID 46192058 (PubChem CID 46192058) has the molecular formula C19H27N2O5 and a molecular weight of 363.43 g/mol.

Molecular Properties

Compound NameCID 46192058
PubChem CID46192058
Molecular FormulaC19H27N2O5
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC Name—
SMILESCC1(C)CC(OC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC(C)(C)N1[O]
InChIInChI=1S/C19H27N2O5/c1-18(2)11-14(12-19(3,4)21(18)25)26-17(24)20-15(16(22)23)10-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3,(H,20,24)(H,22,23)/t15-/m0/s1
InChIKeyDBULLDCGDZJMSG-HNNXBMFYSA-N
XLogP2.78
TPSA98.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2S)-2-[[(3S)-oxolan-3-yl]oxycarbonylamino]-3-phenylpropanoate
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Frequently Asked Questions

What is the IUPAC name of CID 46192058?
The IUPAC name of CID 46192058 (CID 46192058) is not available.
What is the SMILES notation for CID 46192058?
The canonical SMILES for CID 46192058 is CC1(C)CC(OC(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC(C)(C)N1[O].
What is the InChIKey of CID 46192058?
The InChIKey is DBULLDCGDZJMSG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N2O5/c1-18(2)11-14(12-19(3,4)21(18)25)26-17(24)20-15(16(22)23)10-13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3,(H,20,24)(H,22,23)/t15-/m0/s1.
What are the key properties of CID 46192058?
CID 46192058 has a molecular weight of 363.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46192058 is sourced from PubChem (CID 46192058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).