CID 121288754

C18H20NO5P — CID 121288754

IUPAC—
SMILESCc1ccc(C[C@@H](C)NC(=O)OCc2ccccc2)cc1OP(=O)=O
InChIInChI=1S/C18H20NO5P/c1-13-8-9-16(11-17(13)24-25(21)22)10-14(2)19-18(20)23-12-15-6-4-3-5-7-15/h3-9,11,14H,10,12H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyITLVQSWQNDINPP-CQSZACIVSA-N
MW361.33 g/mol
LogP4.32
Rot. Bonds7

About CID 121288754

CID 121288754 (PubChem CID 121288754) has the molecular formula C18H20NO5P and a molecular weight of 361.33 g/mol.

Molecular Properties

Compound NameCID 121288754
PubChem CID121288754
Molecular FormulaC18H20NO5P
Molecular Weight361.33 g/mol
Exact Mass361.11
IUPAC Name—
SMILESCc1ccc(C[C@@H](C)NC(=O)OCc2ccccc2)cc1OP(=O)=O
InChIInChI=1S/C18H20NO5P/c1-13-8-9-16(11-17(13)24-25(21)22)10-14(2)19-18(20)23-12-15-6-4-3-5-7-15/h3-9,11,14H,10,12H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyITLVQSWQNDINPP-CQSZACIVSA-N
XLogP4.32
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 121288754 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate
CID 58748908
benzyl N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 170556242
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 175508345
methyl 3-(3,4-dimethylphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 18736717
benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate
CID 59963897
(2S)-3-(4-hydroxy-3-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 18638341
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
3-(4-hydroxy-3-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 121282452
ethyl 3-(3,4-dihydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 14562832
benzyl N-[(2S)-1-[3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propan-2-yl]carbamate
CID 58748895
methyl (2S)-3-(4-bromo-3-methylphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 11596601
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564

Frequently Asked Questions

What is the IUPAC name of CID 121288754?
The IUPAC name of CID 121288754 (CID 121288754) is not available.
What is the SMILES notation for CID 121288754?
The canonical SMILES for CID 121288754 is Cc1ccc(C[C@@H](C)NC(=O)OCc2ccccc2)cc1OP(=O)=O.
What is the InChIKey of CID 121288754?
The InChIKey is ITLVQSWQNDINPP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20NO5P/c1-13-8-9-16(11-17(13)24-25(21)22)10-14(2)19-18(20)23-12-15-6-4-3-5-7-15/h3-9,11,14H,10,12H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of CID 121288754?
CID 121288754 has a molecular weight of 361.33 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 121288754 is sourced from PubChem (CID 121288754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).