2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid

C18H29NO2 — CID 67708591

IUPAC2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid
SMILESO=C(O)CC1C/C=C\C/C=C/C/C=C\CCCCCCN1
InChIInChI=1S/C18H29NO2/c20-18(21)16-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-17/h1,3-4,6,10,12,17,19H,2,5,7-9,11,13-16H2,(H,20,21)/b3-1-,6-4+,12-10-
InChIKeyWLZRPDCSUJVQTE-YLJHOAQPSA-N
MW291.44 g/mol
LogP4.22
Rot. Bonds2

About 2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid

2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid (PubChem CID 67708591) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid
PubChem CID67708591
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid
SMILESO=C(O)CC1C/C=C\C/C=C/C/C=C\CCCCCCN1
InChIInChI=1S/C18H29NO2/c20-18(21)16-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-17/h1,3-4,6,10,12,17,19H,2,5,7-9,11,13-16H2,(H,20,21)/b3-1-,6-4+,12-10-
InChIKeyWLZRPDCSUJVQTE-YLJHOAQPSA-N
XLogP4.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
carbonic acid;cyclooctene
CID 161186055
(1E)-cyclotetradeca-1,4-diene
CID 173030440
1-azacyclotetradeca-7,10-diene
CID 70114442
2-(1,3-diazinan-2-yl)acetic acid
CID 91095230
3-(azepan-2-yl)propanoic acid
CID 69475849
(1E,8E)-cyclotetradeca-1,4,8-triene
CID 173030555
cyclodec-3-ene-1-carboxylic acid
CID 68707781
(3Z,6E,9S,10Z)-2-ethyl-9-methyl-1-azacyclopentadeca-3,6,10-triene
CID 166795221
1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
2-(1,2,3,4-tetrahydropyridin-2-yl)acetic acid;hydrochloride
CID 121378535
2-morpholin-3-ylacetic acid;hydrochloride
CID 13099576

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid?
The IUPAC name of 2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid (CID 67708591) is 2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid.
What is the SMILES notation for 2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid?
The canonical SMILES for 2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid is O=C(O)CC1C/C=C\C/C=C/C/C=C\CCCCCCN1.
What is the InChIKey of 2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid?
The InChIKey is WLZRPDCSUJVQTE-YLJHOAQPSA-N. The full InChI is InChI=1S/C18H29NO2/c20-18(21)16-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-17/h1,3-4,6,10,12,17,19H,2,5,7-9,11,13-16H2,(H,20,21)/b3-1-,6-4+,12-10-.
What are the key properties of 2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid?
2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid has a molecular weight of 291.44 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z,7E,10Z)-1-azacycloheptadeca-4,7,10-trien-2-yl]acetic acid is sourced from PubChem (CID 67708591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).