[(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate

C11H22N2O4 — CID 176804186

IUPAC[(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate
SMILESCC(C)(C)OC(=O)NCCCC[C@H](N)OC=O
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)13-7-5-4-6-9(12)16-8-14/h8-9H,4-7,12H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyOTLOCPNNDFMNFO-SECBINFHSA-N
MW246.31 g/mol
LogP1.14
Rot. Bonds7

About [(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate

[(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate (PubChem CID 176804186) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate.

Molecular Properties

Compound Name[(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate
PubChem CID176804186
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name[(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate
SMILESCC(C)(C)OC(=O)NCCCC[C@H](N)OC=O
InChIInChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)13-7-5-4-6-9(12)16-8-14/h8-9H,4-7,12H2,1-3H3,(H,13,15)/t9-/m1/s1
InChIKeyOTLOCPNNDFMNFO-SECBINFHSA-N
XLogP1.14
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate
CID 90126597
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
tert-butyl N-[(5S)-5-amino-6,6-dihydroxyhexyl]carbamate
CID 165157652
tert-butyl N-[(5S)-5,6-diaminohexyl]carbamate
CID 10704705
tert-butyl N-[(5R)-5-aminoheptyl]carbamate
CID 163765296
tert-butyl N-(7,8-diamino-8-oxooctyl)carbamate
CID 87097822
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
3-[(5-amino-5-formyloxypentyl)amino]-3-oxopropanoic acid
CID 89403463
[(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate
CID 89403450
(3S)-3-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 53486162

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate?
The IUPAC name of [(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate (CID 176804186) is [(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate.
What is the SMILES notation for [(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate?
The canonical SMILES for [(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate is CC(C)(C)OC(=O)NCCCC[C@H](N)OC=O.
What is the InChIKey of [(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate?
The InChIKey is OTLOCPNNDFMNFO-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-11(2,3)17-10(15)13-7-5-4-6-9(12)16-8-14/h8-9H,4-7,12H2,1-3H3,(H,13,15)/t9-/m1/s1.
What are the key properties of [(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate?
[(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate has a molecular weight of 246.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate is sourced from PubChem (CID 176804186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).