methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C16H29FN2O6 — CID 75152414

IUPACmethyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)C(F)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H29FN2O6/c1-15(2,3)24-13(21)18-9-8-10(17)11(12(20)23-7)19-14(22)25-16(4,5)6/h10-11H,8-9H2,1-7H3,(H,18,21)(H,19,22)
InChIKeyPRSBKDOAAIEKQK-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.31
Rot. Bonds6

About methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 75152414) has the molecular formula C16H29FN2O6 and a molecular weight of 364.41 g/mol. Its IUPAC name is methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID75152414
Molecular FormulaC16H29FN2O6
Molecular Weight364.41 g/mol
Exact Mass364.20
IUPAC Namemethyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)C(F)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H29FN2O6/c1-15(2,3)24-13(21)18-9-8-10(17)11(12(20)23-7)19-14(22)25-16(4,5)6/h10-11H,8-9H2,1-7H3,(H,18,21)(H,19,22)
InChIKeyPRSBKDOAAIEKQK-UHFFFAOYSA-N
XLogP2.31
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate 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

(2R,3R)-3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 123459730
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
methyl (2R,3S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130655477
methyl (2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 102278748
methyl (2R,3R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 124652362
methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 130664858
methyl 4,4,4-trifluoro-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 131841417
methyl (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87786553
methyl 5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53419541
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate
CID 101221457

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 75152414) is methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COC(=O)C(NC(=O)OC(C)(C)C)C(F)CCNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is PRSBKDOAAIEKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2O6/c1-15(2,3)24-13(21)18-9-8-10(17)11(12(20)23-7)19-14(22)25-16(4,5)6/h10-11H,8-9H2,1-7H3,(H,18,21)(H,19,22).
What are the key properties of methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 364.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 75152414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).