methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate

C10H12Cl2N2O2 — CID 171237941

IUPACmethyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C10H12Cl2N2O2/c1-16-10(15)8(13)3-5-2-6(11)4-7(12)9(5)14/h2,4,8H,3,13-14H2,1H3/t8-/m1/s1
InChIKeySCNOUNQPOHBPFI-MRVPVSSYSA-N
MW263.12 g/mol
LogP1.62
Rot. Bonds3

About methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate

methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate (PubChem CID 171237941) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate
PubChem CID171237941
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Namemethyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C10H12Cl2N2O2/c1-16-10(15)8(13)3-5-2-6(11)4-7(12)9(5)14/h2,4,8H,3,13-14H2,1H3/t8-/m1/s1
InChIKeySCNOUNQPOHBPFI-MRVPVSSYSA-N
XLogP1.62
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-amino-3-(4-amino-2-chlorophenyl)propanoate
CID 171238434
methyl (2S)-2-amino-3-(4-amino-2-chloro-5-methylphenyl)propanoate
CID 171238553
methyl (2S)-2-amino-3-(4-amino-3-chloro-5-methylphenyl)propanoate
CID 171238397
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973815
methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973813
2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide
CID 116850865
methyl (2S)-2-amino-3-(5-chloro-2-cyanophenyl)propanoate
CID 171238457
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride
CID 68973814
methyl (2S)-2-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanoate
CID 171238453
methyl (2R)-2-amino-3-(3-amino-4-chlorophenyl)propanoate
CID 171238207
methyl 2-amino-3-(2,4,5-trihydroxyphenyl)propanoate
CID 170883293
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate (CID 171237941) is methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate is COC(=O)[C@H](N)Cc1cc(Cl)cc(Cl)c1N.
What is the InChIKey of methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate?
The InChIKey is SCNOUNQPOHBPFI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-16-10(15)8(13)3-5-2-6(11)4-7(12)9(5)14/h2,4,8H,3,13-14H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate?
methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate has a molecular weight of 263.12 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate is sourced from PubChem (CID 171237941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).