methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate

C10H14N2O2 — CID 43230288

IUPACmethyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
SMILESCOC(=O)[C@H](C)NCc1ccncc1
InChIInChI=1S/C10H14N2O2/c1-8(10(13)14-2)12-7-9-3-5-11-6-4-9/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyMERRDNQWVCQARY-QMMMGPOBSA-N
MW194.23 g/mol
LogP0.73
Rot. Bonds4

About methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate

methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate (PubChem CID 43230288) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
PubChem CID43230288
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
SMILESCOC(=O)[C@H](C)NCc1ccncc1
InChIInChI=1S/C10H14N2O2/c1-8(10(13)14-2)12-7-9-3-5-11-6-4-9/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1
InChIKeyMERRDNQWVCQARY-QMMMGPOBSA-N
XLogP0.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
methyl (2S)-2-(pyridin-3-ylmethylamino)propanoate
CID 43723601
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl (3R)-3-(pyridin-4-ylmethylamino)butanoate
CID 93105938
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966
1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82258073
methyl 2-[(2-cyano-4-pyridinyl)methylamino]propanoate
CID 63880745

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate?
The IUPAC name of methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate (CID 43230288) is methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate is COC(=O)[C@H](C)NCc1ccncc1.
What is the InChIKey of methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate?
The InChIKey is MERRDNQWVCQARY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8(10(13)14-2)12-7-9-3-5-11-6-4-9/h3-6,8,12H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate?
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate has a molecular weight of 194.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate is sourced from PubChem (CID 43230288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).