CID 101120722

C19H18NO4 — CID 101120722

IUPAC—
SMILES[CH2][C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C19H18NO4/c1-12(18(21)23-2)20-19(22)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17H,1,11H2,2H3,(H,20,22)/t12-/m0/s1
InChIKeyXDMBJTDRLOFOKO-LBPRGKRZSA-N
MW324.36 g/mol
LogP2.90
Rot. Bonds4

About CID 101120722

CID 101120722 (PubChem CID 101120722) has the molecular formula C19H18NO4 and a molecular weight of 324.36 g/mol.

Molecular Properties

Compound NameCID 101120722
PubChem CID101120722
Molecular FormulaC19H18NO4
Molecular Weight324.36 g/mol
Exact Mass324.12
IUPAC Name—
SMILES[CH2][C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C19H18NO4/c1-12(18(21)23-2)20-19(22)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17H,1,11H2,2H3,(H,20,22)/t12-/m0/s1
InChIKeyXDMBJTDRLOFOKO-LBPRGKRZSA-N
XLogP2.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CID 101120722 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

methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
CID 10569941
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
CID 102466963
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
dimethyl (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanedioate
CID 23651066
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxybutanoate
CID 135024259
methyl (3R)-2-chloro-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 59323923
9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate
CID 123810740
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-diphenylpropanoate
CID 75488026
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoate
CID 66893735
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-iodobutanoate
CID 91667085

Frequently Asked Questions

What is the IUPAC name of CID 101120722?
The IUPAC name of CID 101120722 (CID 101120722) is not available.
What is the SMILES notation for CID 101120722?
The canonical SMILES for CID 101120722 is [CH2][C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC.
What is the InChIKey of CID 101120722?
The InChIKey is XDMBJTDRLOFOKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18NO4/c1-12(18(21)23-2)20-19(22)24-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17H,1,11H2,2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of CID 101120722?
CID 101120722 has a molecular weight of 324.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101120722 is sourced from PubChem (CID 101120722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).