methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate

C14H19NO4 — CID 15042555

IUPACmethyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)C(C)(C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,12(16)18-3)10-15-13(17)19-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)
InChIKeyAHIPMRUJNVVTFN-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.11
Rot. Bonds5

About methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate

methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate (PubChem CID 15042555) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
PubChem CID15042555
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)C(C)(C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-14(2,12(16)18-3)10-15-13(17)19-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17)
InChIKeyAHIPMRUJNVVTFN-UHFFFAOYSA-N
XLogP2.11
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-(2-isocyano-2-methylpropyl)carbamate
CID 66524050
benzyl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate
CID 165018733
benzyl N-(2-ethyl-2-hydroxybutyl)carbamate
CID 65112360
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
phenylmethoxycarbonylaminomethyl 2-hydroxy-2-methylpropanoate
CID 57154760
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
benzyl N-(3,3,3-trifluoro-2-formyl-2-methylpropyl)carbamate
CID 10913233
benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
CID 110291658
methyl (2S)-3,3,3-trifluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoate
CID 102354501

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate (CID 15042555) is methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate is COC(=O)C(C)(C)CNC(=O)OCc1ccccc1.
What is the InChIKey of methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is AHIPMRUJNVVTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,12(16)18-3)10-15-13(17)19-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,17).
What are the key properties of methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate?
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 265.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 15042555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).