CID 10887775

C17H18NO4 — CID 10887775

IUPAC—
SMILESCOC(=O)[C@H](C[C]1[CH][CH][CH][CH]1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H18NO4/c1-21-16(19)15(11-13-7-5-6-8-13)18-17(20)22-12-14-9-3-2-4-10-14/h2-10,15H,11-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyRPNQTMXYMMOZRE-HNNXBMFYSA-N
MW300.33 g/mol
LogP2.25
Rot. Bonds6

About CID 10887775

CID 10887775 (PubChem CID 10887775) has the molecular formula C17H18NO4 and a molecular weight of 300.33 g/mol.

Molecular Properties

Compound NameCID 10887775
PubChem CID10887775
Molecular FormulaC17H18NO4
Molecular Weight300.33 g/mol
Exact Mass300.12
IUPAC Name—
SMILESCOC(=O)[C@H](C[C]1[CH][CH][CH][CH]1)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H18NO4/c1-21-16(19)15(11-13-7-5-6-8-13)18-17(20)22-12-14-9-3-2-4-10-14/h2-10,15H,11-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyRPNQTMXYMMOZRE-HNNXBMFYSA-N
XLogP2.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 10887773
CID 10887773
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
methyl 3-[4-(hydroxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate
CID 67401665
methyl 3-(4-ethylphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 59585305
methyl 3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 118308465
methyl (2S)-3-(dimethylamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 11312025
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
methyl (2R)-3-(chloroamino)-2-(phenylmethoxycarbonylamino)propanoate
CID 89131387
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
methyl (2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate
CID 92643296

Frequently Asked Questions

What is the IUPAC name of CID 10887775?
The IUPAC name of CID 10887775 (CID 10887775) is not available.
What is the SMILES notation for CID 10887775?
The canonical SMILES for CID 10887775 is COC(=O)[C@H](C[C]1[CH][CH][CH][CH]1)NC(=O)OCc1ccccc1.
What is the InChIKey of CID 10887775?
The InChIKey is RPNQTMXYMMOZRE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18NO4/c1-21-16(19)15(11-13-7-5-6-8-13)18-17(20)22-12-14-9-3-2-4-10-14/h2-10,15H,11-12H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of CID 10887775?
CID 10887775 has a molecular weight of 300.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10887775 is sourced from PubChem (CID 10887775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).