methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate

C15H22N2O4 — CID 19698379

IUPACmethyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1cc(CNC(=O)OC(C)(C)C)ccc1N
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-9-10-5-6-12(16)11(7-10)8-13(18)20-4/h5-7H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyVVPSJYWERIUKCM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.01
Rot. Bonds4

About methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate

methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate (PubChem CID 19698379) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate
PubChem CID19698379
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1cc(CNC(=O)OC(C)(C)C)ccc1N
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-9-10-5-6-12(16)11(7-10)8-13(18)20-4/h5-7H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyVVPSJYWERIUKCM-UHFFFAOYSA-N
XLogP2.01
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-nitrophenyl]acetate
CID 19698358
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
tert-butyl N-[[2-amino-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 171666541
methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]butanoate
CID 155189601
methyl 2-[2-bromo-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]acetate
CID 67256823
tert-butyl N-[(4-amino-3-octoxyphenyl)methyl]carbamate;ethane
CID 176920136
tert-butyl N-[(4-amino-3-heptoxyphenyl)methyl]carbamate;ethane
CID 176919939
2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 77230394
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
tert-butyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 164529549
tert-butyl N-[[4-[(diaminoamino)methyl]phenyl]methyl]carbamate
CID 166772321
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate (CID 19698379) is methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate is COC(=O)Cc1cc(CNC(=O)OC(C)(C)C)ccc1N.
What is the InChIKey of methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate?
The InChIKey is VVPSJYWERIUKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-9-10-5-6-12(16)11(7-10)8-13(18)20-4/h5-7H,8-9,16H2,1-4H3,(H,17,19).
What are the key properties of methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate?
methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate has a molecular weight of 294.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate is sourced from PubChem (CID 19698379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).