methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate

C21H21NO4 — CID 10569941

IUPACmethyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
SMILESC=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C21H21NO4/c1-3-8-19(20(23)25-2)22-21(24)26-13-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h3-7,9-12,18-19H,1,8,13H2,2H3,(H,22,24)/t19-/m1/s1
InChIKeyBCAQZXPPJIDARV-LJQANCHMSA-N
MW351.40 g/mol
LogP3.64
Rot. Bonds6

About methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate

methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate (PubChem CID 10569941) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate.

Molecular Properties

Compound Namemethyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
PubChem CID10569941
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Namemethyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
SMILESC=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C21H21NO4/c1-3-8-19(20(23)25-2)22-21(24)26-13-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h3-7,9-12,18-19H,1,8,13H2,2H3,(H,22,24)/t19-/m1/s1
InChIKeyBCAQZXPPJIDARV-LJQANCHMSA-N
XLogP3.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate 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

2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
CID 4052587
benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
CID 102217159
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
CID 101120722
CID 101120722
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-iodobutanoate
CID 91667085
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoate
CID 66893735
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
2-[cyclopropyl-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoyl]amino]acetic acid
CID 165459983
4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoylamino]-3-hydroxy-3-methylbutanoic acid
CID 165485059
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(hydroxyamino)hexanoate
CID 138961408
dimethyl (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanedioate
CID 23651066

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate?
The IUPAC name of methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate (CID 10569941) is methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate.
What is the SMILES notation for methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate?
The canonical SMILES for methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate is C=CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC.
What is the InChIKey of methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate?
The InChIKey is BCAQZXPPJIDARV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21NO4/c1-3-8-19(20(23)25-2)22-21(24)26-13-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h3-7,9-12,18-19H,1,8,13H2,2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate?
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate has a molecular weight of 351.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate is sourced from PubChem (CID 10569941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).