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

C15H20NO4Zn- — CID 59740969

IUPACbenzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc
SMILES[CH2-]C(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1.[Zn]
InChIInChI=1S/C15H20NO4.Zn/c1-11(16-14(18)20-15(2,3)4)13(17)19-10-12-8-6-5-7-9-12;/h5-9,11H,1,10H2,2-4H3,(H,16,18);/q-1;
InChIKeyZGDCNIMEYOCXMM-UHFFFAOYSA-N
MW343.72 g/mol
LogP2.45
Rot. Bonds4

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

benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc (PubChem CID 59740969) has the molecular formula C15H20NO4Zn- and a molecular weight of 343.72 g/mol. Its IUPAC name is benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc.

Molecular Properties

Compound Namebenzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc
PubChem CID59740969
Molecular FormulaC15H20NO4Zn-
Molecular Weight343.72 g/mol
Exact Mass342.07
IUPAC Namebenzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc
SMILES[CH2-]C(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1.[Zn]
InChIInChI=1S/C15H20NO4.Zn/c1-11(16-14(18)20-15(2,3)4)13(17)19-10-12-8-6-5-7-9-12;/h5-9,11H,1,10H2,2-4H3,(H,16,18);/q-1;
InChIKeyZGDCNIMEYOCXMM-UHFFFAOYSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.72
LogP ≤ 52.45
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

dibenzyl (2R,7R)-2,7-bis[(2-methylpropan-2-yl)oxycarbonylamino]octanedioate
CID 10886402
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 14420168
dibenzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)heptanedioate
CID 91157508
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
1-O-benzyl 4-O-ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 14420305
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxypropyl]disulfanyl]propanoate
CID 177297165
benzyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 13369189
dibenzyl 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 102184281
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;carbon dioxide
CID 157460571
benzyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfanylidenebutanoate
CID 86654757
benzyl (2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutan-2-yl]diselanyl]butanoate
CID 46216918
1-O-benzyl 4-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10593023

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc?
The IUPAC name of benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc (CID 59740969) is benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc.
What is the SMILES notation for benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc?
The canonical SMILES for benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc is [CH2-]C(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1.[Zn].
What is the InChIKey of benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc?
The InChIKey is ZGDCNIMEYOCXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NO4.Zn/c1-11(16-14(18)20-15(2,3)4)13(17)19-10-12-8-6-5-7-9-12;/h5-9,11H,1,10H2,2-4H3,(H,16,18);/q-1;.
What are the key properties of benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc?
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc has a molecular weight of 343.72 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;zinc is sourced from PubChem (CID 59740969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).