2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid

C44H70N4O8 — CID 160746773

IUPAC2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid
SMILESO=C(O)CNC1CC1.O=C(O)CNC1CCCCCCC1.O=C(O)CNC1CCCCCCCCCC1.O=C(O)CNCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2.C13H25NO2.C10H19NO2.C5H9NO2/c18-16(19)12-17-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;15-13(16)11-14-12-9-7-5-3-1-2-4-6-8-10-12;12-10(13)8-11-9-6-4-2-1-3-5-7-9;7-5(8)3-6-4-1-2-4/h1-10,15,17H,11-12H2,(H,18,19);12,14H,1-11H2,(H,15,16);9,11H,1-8H2,(H,12,13);4,6H,1-3H2,(H,7,8)
InChIKeyRWHCOQMIPIBGRB-UHFFFAOYSA-N
MW783.06 g/mol
LogP7.03
Rot. Bonds15

About 2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid

2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid (PubChem CID 160746773) has the molecular formula C44H70N4O8 and a molecular weight of 783.06 g/mol. Its IUPAC name is 2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid.

Molecular Properties

Compound Name2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid
PubChem CID160746773
Molecular FormulaC44H70N4O8
Molecular Weight783.06 g/mol
Exact Mass782.52
IUPAC Name2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid
SMILESO=C(O)CNC1CC1.O=C(O)CNC1CCCCCCC1.O=C(O)CNC1CCCCCCCCCC1.O=C(O)CNCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2.C13H25NO2.C10H19NO2.C5H9NO2/c18-16(19)12-17-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;15-13(16)11-14-12-9-7-5-3-1-2-4-6-8-10-12;12-10(13)8-11-9-6-4-2-1-3-5-7-9;7-5(8)3-6-4-1-2-4/h1-10,15,17H,11-12H2,(H,18,19);12,14H,1-11H2,(H,15,16);9,11H,1-8H2,(H,12,13);4,6H,1-3H2,(H,7,8)
InChIKeyRWHCOQMIPIBGRB-UHFFFAOYSA-N
XLogP7.03
TPSA197.32 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500783.06
LogP ≤ 57.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid with MolForge

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Related Compounds

sodium;2-(cyclohexylamino)acetic acid;hydroxide
CID 164959041
2-(cyclohexylamino)-N-(1-phenylpropyl)acetamide
CID 54816670
2-(cyclopropylamino)acetic acid
CID 21197388
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
3-(cyclohexylamino)-3-phenylpropanoic acid
CID 82931876
N-(cyclopentylmethyl)-2,2-diphenylethanamine
CID 107292721
2-(cyclopentylamino)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184083
N-benzhydryl-2-(cyclopropylamino)acetamide
CID 60647106
(2R)-2-(2-carboxyethylamino)-4-phenylbutanoic acid;2-(cyclohexylamino)acetic acid
CID 70089458
2-(cyclohexylamino)-N-[cyclohexyl(phenyl)methyl]-N-methylacetamide
CID 14208397
2-(cyclohexylamino)acetic acid;cyclopentanecarboxylic acid
CID 174421767
2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid
CID 61157868

Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid?
The IUPAC name of 2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid (CID 160746773) is 2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid.
What is the SMILES notation for 2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid?
The canonical SMILES for 2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid is O=C(O)CNC1CC1.O=C(O)CNC1CCCCCCC1.O=C(O)CNC1CCCCCCCCCC1.O=C(O)CNCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid?
The InChIKey is RWHCOQMIPIBGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C13H25NO2.C10H19NO2.C5H9NO2/c18-16(19)12-17-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;15-13(16)11-14-12-9-7-5-3-1-2-4-6-8-10-12;12-10(13)8-11-9-6-4-2-1-3-5-7-9;7-5(8)3-6-4-1-2-4/h1-10,15,17H,11-12H2,(H,18,19);12,14H,1-11H2,(H,15,16);9,11H,1-8H2,(H,12,13);4,6H,1-3H2,(H,7,8).
What are the key properties of 2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid?
2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid has a molecular weight of 783.06 g/mol, XLogP of 7.03, 15 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylamino)acetic acid;2-(cyclopropylamino)acetic acid;2-(cycloundecylamino)acetic acid;2-(2,2-diphenylethylamino)acetic acid is sourced from PubChem (CID 160746773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).