lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate

C14H25LiN2O6 — CID 156723013

IUPAClithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate
SMILESCC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C(=O)[O-].[Li+]
InChIInChI=1S/C14H26N2O6.Li/c1-13(2,3)21-11(19)15-7-9(10(17)18)8-16-12(20)22-14(4,5)6;/h9H,7-8H2,1-6H3,(H,15,19)(H,16,20)(H,17,18);/q;+1/p-1
InChIKeyFHXGDPCZDVNDFQ-UHFFFAOYSA-M
MW324.30 g/mol
LogP-2.59
Rot. Bonds5

About lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate

lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate (PubChem CID 156723013) has the molecular formula C14H25LiN2O6 and a molecular weight of 324.30 g/mol. Its IUPAC name is lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate.

Molecular Properties

Compound Namelithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate
PubChem CID156723013
Molecular FormulaC14H25LiN2O6
Molecular Weight324.30 g/mol
Exact Mass324.19
IUPAC Namelithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate
SMILESCC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C(=O)[O-].[Li+]
InChIInChI=1S/C14H26N2O6.Li/c1-13(2,3)21-11(19)15-7-9(10(17)18)8-16-12(20)22-14(4,5)6;/h9H,7-8H2,1-6H3,(H,15,19)(H,16,20)(H,17,18);/q;+1/p-1
InChIKeyFHXGDPCZDVNDFQ-UHFFFAOYSA-M
XLogP-2.59
TPSA116.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 5-2.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate with MolForge

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Related Compounds

2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 22996657
(2R)-3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoate
CID 51777226
(2S)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7015749
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 174463288
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
(2R,5S)-2-azaniumyl-5-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 7408421
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
methyl 4-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-oxobutanoate
CID 123805499
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749

Frequently Asked Questions

What is the IUPAC name of lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate?
The IUPAC name of lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate (CID 156723013) is lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate.
What is the SMILES notation for lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate?
The canonical SMILES for lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate is CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C(=O)[O-].[Li+].
What is the InChIKey of lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate?
The InChIKey is FHXGDPCZDVNDFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H26N2O6.Li/c1-13(2,3)21-11(19)15-7-9(10(17)18)8-16-12(20)22-14(4,5)6;/h9H,7-8H2,1-6H3,(H,15,19)(H,16,20)(H,17,18);/q;+1/p-1.
What are the key properties of lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate?
lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate has a molecular weight of 324.30 g/mol, XLogP of -2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanoate is sourced from PubChem (CID 156723013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).