methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate

C19H26N2O5 — CID 11537817

IUPACmethyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate
SMILESCOC(=O)CCCCNC(=O)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H26N2O5/c1-25-17(22)9-5-6-12-20-18(23)15-10-11-16(15)21-19(24)26-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,20,23)(H,21,24)/t15-,16+/m0/s1
InChIKeyCPIPABQEBNFIHA-JKSUJKDBSA-N
MW362.43 g/mol
LogP2.15
Rot. Bonds9

About methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate

methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate (PubChem CID 11537817) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate
PubChem CID11537817
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate
SMILESCOC(=O)CCCCNC(=O)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H26N2O5/c1-25-17(22)9-5-6-12-20-18(23)15-10-11-16(15)21-19(24)26-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,20,23)(H,21,24)/t15-,16+/m0/s1
InChIKeyCPIPABQEBNFIHA-JKSUJKDBSA-N
XLogP2.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate?
The IUPAC name of methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate (CID 11537817) is methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate.
What is the SMILES notation for methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate?
The canonical SMILES for methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate is COC(=O)CCCCNC(=O)[C@H]1CC[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate?
The InChIKey is CPIPABQEBNFIHA-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-25-17(22)9-5-6-12-20-18(23)15-10-11-16(15)21-19(24)26-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3,(H,20,23)(H,21,24)/t15-,16+/m0/s1.
What are the key properties of methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate?
methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate has a molecular weight of 362.43 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]pentanoate is sourced from PubChem (CID 11537817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).