methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C14H26N2O4 — CID 175669579

IUPACmethyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(CCCC1(N)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)20-12(18)16-10(11(17)19-4)6-5-7-14(15)8-9-14/h10H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyQZUAPMZVGPQPDW-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.71
Rot. Bonds6

About methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 175669579) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID175669579
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(CCCC1(N)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)20-12(18)16-10(11(17)19-4)6-5-7-14(15)8-9-14/h10H,5-9,15H2,1-4H3,(H,16,18)
InChIKeyQZUAPMZVGPQPDW-UHFFFAOYSA-N
XLogP1.71
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate with MolForge

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Related Compounds

methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53419542
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxoheptanoate
CID 59280412
methyl (2S)-7-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
CID 145364807
methyl 4-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 14394149
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 100999449
methyl 5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 22227521
methyl (2R)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 15719230
methyl 5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53419541
methyl 4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23385789
tert-butyl (2S)-5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10062769
methyl 6-(2-aminopropanoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 175110455
methyl 4-ethylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 144836207

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 175669579) is methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COC(=O)C(CCCC1(N)CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is QZUAPMZVGPQPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)20-12(18)16-10(11(17)19-4)6-5-7-14(15)8-9-14/h10H,5-9,15H2,1-4H3,(H,16,18).
What are the key properties of methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 286.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 175669579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).