methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate

C14H19N3O2 — CID 61151100

IUPACmethyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
SMILESCCn1c(CN[C@@H](C)C(=O)OC)nc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-4-17-12-8-6-5-7-11(12)16-13(17)9-15-10(2)14(18)19-3/h5-8,10,15H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyFBCVFFMICWJWBU-JTQLQIEISA-N
MW261.33 g/mol
LogP1.71
Rot. Bonds5

About methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate

methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate (PubChem CID 61151100) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
PubChem CID61151100
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Namemethyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate
SMILESCCn1c(CN[C@@H](C)C(=O)OC)nc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-4-17-12-8-6-5-7-11(12)16-13(17)9-15-10(2)14(18)19-3/h5-8,10,15H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyFBCVFFMICWJWBU-JTQLQIEISA-N
XLogP1.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
(2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 93450480
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
benzyl N-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
CID 18116769
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate?
The IUPAC name of methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate (CID 61151100) is methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate is CCn1c(CN[C@@H](C)C(=O)OC)nc2ccccc21.
What is the InChIKey of methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate?
The InChIKey is FBCVFFMICWJWBU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-17-12-8-6-5-7-11(12)16-13(17)9-15-10(2)14(18)19-3/h5-8,10,15H,4,9H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate?
methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate has a molecular weight of 261.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(1-ethylbenzimidazol-2-yl)methylamino]propanoate is sourced from PubChem (CID 61151100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).