methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate

C13H19NO3 — CID 60786504

IUPACmethyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate
SMILESCOC(=O)C(NC(C)C)c1cccc(OC)c1
InChIInChI=1S/C13H19NO3/c1-9(2)14-12(13(15)17-4)10-6-5-7-11(8-10)16-3/h5-9,12,14H,1-4H3
InChIKeyQFDQPCNXBUALQX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds5

About methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate

methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate (PubChem CID 60786504) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate
PubChem CID60786504
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate
SMILESCOC(=O)C(NC(C)C)c1cccc(OC)c1
InChIInChI=1S/C13H19NO3/c1-9(2)14-12(13(15)17-4)10-6-5-7-11(8-10)16-3/h5-9,12,14H,1-4H3
InChIKeyQFDQPCNXBUALQX-UHFFFAOYSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60873533
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 58785891
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
methyl 2-[hydroxy-(3-methoxyphenyl)methyl]-3-methylbutanoate
CID 62394027
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
2-(2-methoxyethylamino)-2-(3-methoxyphenyl)acetamide
CID 55084492
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754392
methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
CID 67298001
2-(benzylamino)-2-(3-methoxyphenyl)acetamide
CID 10849658

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate?
The IUPAC name of methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate (CID 60786504) is methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate?
The canonical SMILES for methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate is COC(=O)C(NC(C)C)c1cccc(OC)c1.
What is the InChIKey of methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate?
The InChIKey is QFDQPCNXBUALQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)14-12(13(15)17-4)10-6-5-7-11(8-10)16-3/h5-9,12,14H,1-4H3.
What are the key properties of methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate?
methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate is sourced from PubChem (CID 60786504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).