methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate

C8H9ClN2O2 — CID 130613043

IUPACmethyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate
SMILESCOC(=O)[C@H](N)c1ccncc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-13-8(12)7(10)5-2-3-11-4-6(5)9/h2-4,7H,10H2,1H3/t7-/m1/s1
InChIKeyIIOSZJCQFFAXFK-SSDOTTSWSA-N
MW200.63 g/mol
LogP0.91
Rot. Bonds2

About methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate

methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate (PubChem CID 130613043) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate
PubChem CID130613043
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Namemethyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate
SMILESCOC(=O)[C@H](N)c1ccncc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-13-8(12)7(10)5-2-3-11-4-6(5)9/h2-4,7H,10H2,1H3/t7-/m1/s1
InChIKeyIIOSZJCQFFAXFK-SSDOTTSWSA-N
XLogP0.91
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate
CID 165494271
methyl (2S)-2-amino-2-(3,5-dichloro-4-pyridinyl)acetate;hydrochloride
CID 171204681
methyl 2-amino-2-(2-chloro-3-pyridinyl)acetate
CID 130059341
methyl (2R)-2-amino-2-(4-bromo-2-chlorophenyl)acetate;hydrochloride
CID 162344269
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
methyl (2R)-2-amino-2-(3,4-dichloro-2-hydroxyphenyl)acetate
CID 131463179
(1R)-1-(3-chloro-4-pyridinyl)-2,2-difluoroethanamine
CID 131150469
ethyl 4-(3-chloro-4-pyridinyl)-3,4-dihydroxybutanoate
CID 171896863
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate (CID 130613043) is methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate is COC(=O)[C@H](N)c1ccncc1Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate?
The InChIKey is IIOSZJCQFFAXFK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-13-8(12)7(10)5-2-3-11-4-6(5)9/h2-4,7H,10H2,1H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate?
methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate has a molecular weight of 200.63 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate is sourced from PubChem (CID 130613043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).