methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride

C11H15ClNO3- — CID 162332781

IUPACmethyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
SMILESCOC(=O)C(N)Cc1ccc(OC)cc1.[Cl-]
InChIInChI=1S/C11H15NO3.ClH/c1-14-9-5-3-8(4-6-9)7-10(12)11(13)15-2;/h3-6,10H,7,12H2,1-2H3;1H/p-1
InChIKeyCDCIQNBPLQWUQS-UHFFFAOYSA-M
MW244.70 g/mol
LogP-2.26
Rot. Bonds4

About methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride

methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride (PubChem CID 162332781) has the molecular formula C11H15ClNO3- and a molecular weight of 244.70 g/mol. Its IUPAC name is methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
PubChem CID162332781
Molecular FormulaC11H15ClNO3-
Molecular Weight244.70 g/mol
Exact Mass244.07
IUPAC Namemethyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
SMILESCOC(=O)C(N)Cc1ccc(OC)cc1.[Cl-]
InChIInChI=1S/C11H15NO3.ClH/c1-14-9-5-3-8(4-6-9)7-10(12)11(13)15-2;/h3-6,10H,7,12H2,1-2H3;1H/p-1
InChIKeyCDCIQNBPLQWUQS-UHFFFAOYSA-M
XLogP-2.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 5-2.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 2-amino-3-[4-(2-oxopropoxy)phenyl]propanoate
CID 143703835
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
CID 10955237
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride?
The IUPAC name of methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride (CID 162332781) is methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride.
What is the SMILES notation for methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride?
The canonical SMILES for methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride is COC(=O)C(N)Cc1ccc(OC)cc1.[Cl-].
What is the InChIKey of methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride?
The InChIKey is CDCIQNBPLQWUQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15NO3.ClH/c1-14-9-5-3-8(4-6-9)7-10(12)11(13)15-2;/h3-6,10H,7,12H2,1-2H3;1H/p-1.
What are the key properties of methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride?
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride has a molecular weight of 244.70 g/mol, XLogP of -2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride is sourced from PubChem (CID 162332781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).