2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid

C19H26N2O4 — CID 120523438

IUPAC2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)C2CCCCCCC2)cc1
InChIInChI=1S/C19H26N2O4/c22-17(20-13-18(23)24)12-14-8-10-16(11-9-14)21-19(25)15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,12-13H2,(H,20,22)(H,21,25)(H,23,24)
InChIKeyZJSCCPOLGJTPBS-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.73
Rot. Bonds6

About 2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid

2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid (PubChem CID 120523438) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
PubChem CID120523438
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1ccc(NC(=O)C2CCCCCCC2)cc1
InChIInChI=1S/C19H26N2O4/c22-17(20-13-18(23)24)12-14-8-10-16(11-9-14)21-19(25)15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,12-13H2,(H,20,22)(H,21,25)(H,23,24)
InChIKeyZJSCCPOLGJTPBS-UHFFFAOYSA-N
XLogP2.73
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224466
2-[[2-[4-[(2-cyclohexylacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224346
2-[[2-[4-[3-(cyclopentanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224629
2-[[2-[4-[4-(cyclopropanecarbonylamino)butanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224615
2-[[2-[4-(4-cyclohexylbutanoylamino)phenyl]acetyl]amino]acetic acid
CID 119224601
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224317
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
CID 39231121
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid (CID 120523438) is 2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1ccc(NC(=O)C2CCCCCCC2)cc1.
What is the InChIKey of 2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid?
The InChIKey is ZJSCCPOLGJTPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-17(20-13-18(23)24)12-14-8-10-16(11-9-14)21-19(25)15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,12-13H2,(H,20,22)(H,21,25)(H,23,24).
What are the key properties of 2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid?
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid has a molecular weight of 346.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 120523438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).