methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride

C12H17ClN2O3 — CID 119322800

IUPACmethyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
SMILESCOC(=O)Cc1cccc(NC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C12H16N2O3.ClH/c1-8(13)12(16)14-10-5-3-4-9(6-10)7-11(15)17-2;/h3-6,8H,7,13H2,1-2H3,(H,14,16);1H/t8-;/m1./s1
InChIKeyDTRYUAQSOGAMCJ-DDWIOCJRSA-N
MW272.73 g/mol
LogP1.11
Rot. Bonds4

About methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride

methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride (PubChem CID 119322800) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
PubChem CID119322800
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Namemethyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
SMILESCOC(=O)Cc1cccc(NC(=O)[C@@H](C)N)c1.Cl
InChIInChI=1S/C12H16N2O3.ClH/c1-8(13)12(16)14-10-5-3-4-9(6-10)7-11(15)17-2;/h3-6,8H,7,13H2,1-2H3,(H,14,16);1H/t8-;/m1./s1
InChIKeyDTRYUAQSOGAMCJ-DDWIOCJRSA-N
XLogP1.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
methyl 2-[3-[[(2R)-2-aminopropyl]amino]phenyl]acetate
CID 54091562
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
(2S)-2-amino-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 119305153
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
(2S)-2-amino-N-[3-(2-butoxyethoxymethyl)phenyl]propanamide;hydrochloride
CID 119306540
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride?
The IUPAC name of methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride (CID 119322800) is methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride is COC(=O)Cc1cccc(NC(=O)[C@@H](C)N)c1.Cl.
What is the InChIKey of methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride?
The InChIKey is DTRYUAQSOGAMCJ-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H16N2O3.ClH/c1-8(13)12(16)14-10-5-3-4-9(6-10)7-11(15)17-2;/h3-6,8H,7,13H2,1-2H3,(H,14,16);1H/t8-;/m1./s1.
What are the key properties of methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride?
methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride has a molecular weight of 272.73 g/mol, XLogP of 1.11, 4 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-aminopropanoyl]amino]phenyl]acetate;hydrochloride is sourced from PubChem (CID 119322800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).