2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc

C12H22NO4Zn- — CID 175583050

IUPAC2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc
SMILES[CH2-]C(NC(=O)OC(C)(C)C)C(=O)OCC(C)C.[Zn]
InChIInChI=1S/C12H22NO4.Zn/c1-8(2)7-16-10(14)9(3)13-11(15)17-12(4,5)6;/h8-9H,3,7H2,1-2,4-6H3,(H,13,15);/q-1;
InChIKeyOHLHMIFLQXUTPF-UHFFFAOYSA-N
MW309.70 g/mol
LogP1.91
Rot. Bonds4

About 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc

2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc (PubChem CID 175583050) has the molecular formula C12H22NO4Zn- and a molecular weight of 309.70 g/mol. Its IUPAC name is 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc.

Molecular Properties

Compound Name2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc
PubChem CID175583050
Molecular FormulaC12H22NO4Zn-
Molecular Weight309.70 g/mol
Exact Mass308.08
IUPAC Name2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc
SMILES[CH2-]C(NC(=O)OC(C)(C)C)C(=O)OCC(C)C.[Zn]
InChIInChI=1S/C12H22NO4.Zn/c1-8(2)7-16-10(14)9(3)13-11(15)17-12(4,5)6;/h8-9H,3,7H2,1-2,4-6H3,(H,13,15);/q-1;
InChIKeyOHLHMIFLQXUTPF-UHFFFAOYSA-N
XLogP1.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 137320509
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc
CID 59740969
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
(2S)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2-methylpropoxy)-4-oxobutanoyl]oxypropanoic acid
CID 129183256
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate
CID 115539558
2-methylpropyl (2S)-3-(4-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 170073443
tert-butyl N-[(2S)-1-(sulfanylmethoxy)propan-2-yl]carbamate
CID 160711202
ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 170262393
tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 7015295
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
[(1R,2S)-1-cyclopentyl-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 121466169

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc?
The IUPAC name of 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc (CID 175583050) is 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc.
What is the SMILES notation for 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc?
The canonical SMILES for 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc is [CH2-]C(NC(=O)OC(C)(C)C)C(=O)OCC(C)C.[Zn].
What is the InChIKey of 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc?
The InChIKey is OHLHMIFLQXUTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO4.Zn/c1-8(2)7-16-10(14)9(3)13-11(15)17-12(4,5)6;/h8-9H,3,7H2,1-2,4-6H3,(H,13,15);/q-1;.
What are the key properties of 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc?
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc has a molecular weight of 309.70 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc is sourced from PubChem (CID 175583050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).