methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate

C9H11ClN2O2 — CID 165494271

IUPACmethyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate
SMILESCOC(=O)CC(N)c1ccncc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-14-9(13)4-8(11)6-2-3-12-5-7(6)10/h2-3,5,8H,4,11H2,1H3
InChIKeyFHMWHZHZVRKSQV-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.30
Rot. Bonds3

About methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate

methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate (PubChem CID 165494271) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate
PubChem CID165494271
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Namemethyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate
SMILESCOC(=O)CC(N)c1ccncc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-14-9(13)4-8(11)6-2-3-12-5-7(6)10/h2-3,5,8H,4,11H2,1H3
InChIKeyFHMWHZHZVRKSQV-UHFFFAOYSA-N
XLogP1.30
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55278233
methyl (2R)-2-amino-2-(3-chloro-4-pyridinyl)acetate
CID 130613043
1-(3-chloro-4-pyridinyl)-3-methylbut-3-en-1-amine
CID 105163006
ethyl 4-(3-chloro-4-pyridinyl)-3,4-dihydroxybutanoate
CID 171896863
methyl (3R)-3-amino-3-(2-chloro-4-fluorophenyl)propanoate
CID 103694392
methyl (3R)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]propanoate
CID 171250563
(1S)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine
CID 171218356
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
methyl (3S)-3-amino-3-(3,4-dichloro-2-hydroxyphenyl)propanoate;hydrochloride
CID 171253992
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
(1R)-1-(3-chloro-4-pyridinyl)-3-fluoropropan-1-amine;hydrochloride
CID 171198839

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate?
The IUPAC name of methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate (CID 165494271) is methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate.
What is the SMILES notation for methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate?
The canonical SMILES for methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate is COC(=O)CC(N)c1ccncc1Cl.
What is the InChIKey of methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate?
The InChIKey is FHMWHZHZVRKSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-14-9(13)4-8(11)6-2-3-12-5-7(6)10/h2-3,5,8H,4,11H2,1H3.
What are the key properties of methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate?
methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate has a molecular weight of 214.65 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate is sourced from PubChem (CID 165494271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).