2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid

C15H26N2O4 — CID 177030535

IUPAC2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid
SMILESCC1(C(=O)NCC(=O)O)CCCC(N2CCOCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-15(14(20)16-11-13(18)19)5-2-3-12(4-6-15)17-7-9-21-10-8-17/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyQYRROWKHINKSBH-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.86
Rot. Bonds4

About 2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid

2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid (PubChem CID 177030535) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid
PubChem CID177030535
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid
SMILESCC1(C(=O)NCC(=O)O)CCCC(N2CCOCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-15(14(20)16-11-13(18)19)5-2-3-12(4-6-15)17-7-9-21-10-8-17/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyQYRROWKHINKSBH-UHFFFAOYSA-N
XLogP0.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid (CID 177030535) is 2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid is CC1(C(=O)NCC(=O)O)CCCC(N2CCOCC2)CC1.
What is the InChIKey of 2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid?
The InChIKey is QYRROWKHINKSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(14(20)16-11-13(18)19)5-2-3-12(4-6-15)17-7-9-21-10-8-17/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid?
2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-morpholin-4-ylcycloheptanecarbonyl)amino]acetic acid is sourced from PubChem (CID 177030535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).