2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid

C14H27N3O4 — CID 79271648

IUPAC2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H27N3O4/c1-15-6-4-12(5-7-15)10-16(2)14(20)17(8-9-21-3)11-13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyUSDCPKSWCPEUHE-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.41
Rot. Bonds7

About 2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid

2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid (PubChem CID 79271648) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
PubChem CID79271648
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C14H27N3O4/c1-15-6-4-12(5-7-15)10-16(2)14(20)17(8-9-21-3)11-13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyUSDCPKSWCPEUHE-UHFFFAOYSA-N
XLogP0.41
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-prop-2-enylamino]acetic acid
CID 79286176
2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 79271541
2-[2-methoxyethyl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65067210
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 63297553
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 105419766
2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid
CID 79272097
2-amino-5-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pentanamide
CID 81089103
2-[[cyclopentylmethyl(methyl)carbamoyl]-ethylamino]acetic acid
CID 63655952
2-[(2-amino-2-oxoethyl)-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 107438105

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid (CID 79271648) is 2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid?
The InChIKey is USDCPKSWCPEUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-15-6-4-12(5-7-15)10-16(2)14(20)17(8-9-21-3)11-13(18)19/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 79271648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).