2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid

C19H26N4O4 — CID 129475210

IUPAC2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCc1nc2ccccc2n1CC(=O)N1CCO[C@H](CN(C)CC(=O)O)C1
InChIInChI=1S/C19H26N4O4/c1-3-17-20-15-6-4-5-7-16(15)23(17)12-18(24)22-8-9-27-14(11-22)10-21(2)13-19(25)26/h4-7,14H,3,8-13H2,1-2H3,(H,25,26)/t14-/m1/s1
InChIKeyIQWLIGZPFFRNNK-CQSZACIVSA-N
MW374.44 g/mol
LogP0.84
Rot. Bonds7

About 2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid

2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 129475210) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID129475210
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCCc1nc2ccccc2n1CC(=O)N1CCO[C@H](CN(C)CC(=O)O)C1
InChIInChI=1S/C19H26N4O4/c1-3-17-20-15-6-4-5-7-16(15)23(17)12-18(24)22-8-9-27-14(11-22)10-21(2)13-19(25)26/h4-7,14H,3,8-13H2,1-2H3,(H,25,26)/t14-/m1/s1
InChIKeyIQWLIGZPFFRNNK-CQSZACIVSA-N
XLogP0.84
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid (CID 129475210) is 2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid is CCc1nc2ccccc2n1CC(=O)N1CCO[C@H](CN(C)CC(=O)O)C1.
What is the InChIKey of 2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is IQWLIGZPFFRNNK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-3-17-20-15-6-4-5-7-16(15)23(17)12-18(24)22-8-9-27-14(11-22)10-21(2)13-19(25)26/h4-7,14H,3,8-13H2,1-2H3,(H,25,26)/t14-/m1/s1.
What are the key properties of 2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 374.44 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-[2-(2-ethylbenzimidazol-1-yl)acetyl]morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 129475210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).