methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate

C12H18N2O2 — CID 54091562

IUPACmethyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC[C@@H](C)N)c1
InChIInChI=1S/C12H18N2O2/c1-9(13)8-14-11-5-3-4-10(6-11)7-12(15)16-2/h3-6,9,14H,7-8,13H2,1-2H3/t9-/m1/s1
InChIKeyMUFMFPUTDACESW-SECBINFHSA-N
MW222.29 g/mol
LogP1.16
Rot. Bonds5

About methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate

methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate (PubChem CID 54091562) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate
PubChem CID54091562
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC[C@@H](C)N)c1
InChIInChI=1S/C12H18N2O2/c1-9(13)8-14-11-5-3-4-10(6-11)7-12(15)16-2/h3-6,9,14H,7-8,13H2,1-2H3/t9-/m1/s1
InChIKeyMUFMFPUTDACESW-SECBINFHSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
CID 119322800
methyl 3-(3-ethylanilino)-2-methylpropanoate
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1-[3-(2-aminopropylamino)phenyl]ethanol
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2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
CID 87853811
methyl 2-[3-(methoxymethyl)phenyl]acetate
CID 131730198
methyl 2-[3-(2-chloropropanoyl)phenyl]acetate
CID 174530550
methyl 2-bromo-3-[3-(methoxymethyl)anilino]propanoate
CID 103245977
methyl 2-(3-propylphenyl)acetate
CID 89333992
methyl 2-[3-[[3-(piperidin-1-ylmethyl)anilino]methyl]phenyl]acetate
CID 91339483
methyl 2-(3-carbamothioylphenyl)acetate
CID 155859053
(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
CID 106931972
methyl 2-[3-(3,3-dimethylbutyl)phenyl]acetate
CID 163670112

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate (CID 54091562) is methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate is COC(=O)Cc1cccc(NC[C@@H](C)N)c1.
What is the InChIKey of methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate?
The InChIKey is MUFMFPUTDACESW-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(13)8-14-11-5-3-4-10(6-11)7-12(15)16-2/h3-6,9,14H,7-8,13H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate?
methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate has a molecular weight of 222.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate is sourced from PubChem (CID 54091562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).