7-(adamantane-1-carbonylamino)heptanoic acid

C18H29NO3 — CID 71700197

IUPAC7-(adamantane-1-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29NO3/c20-16(21)5-3-1-2-4-6-19-17(22)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2,(H,19,22)(H,20,21)
InChIKeyWFBDSTDWDROYIK-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.35
Rot. Bonds8

About 7-(adamantane-1-carbonylamino)heptanoic acid

7-(adamantane-1-carbonylamino)heptanoic acid (PubChem CID 71700197) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 7-(adamantane-1-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name7-(adamantane-1-carbonylamino)heptanoic acid
PubChem CID71700197
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name7-(adamantane-1-carbonylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29NO3/c20-16(21)5-3-1-2-4-6-19-17(22)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2,(H,19,22)(H,20,21)
InChIKeyWFBDSTDWDROYIK-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)adamantane-1-carboxamide
CID 107321772
N-(4-iodobutyl)adamantane-1-carboxamide
CID 106846336
5-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]pentanoic acid
CID 119234600
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
N-[3-(cyclopropylamino)propyl]adamantane-1-carboxamide
CID 43596349
N-(3-methoxypropyl)adamantane-1-carboxamide
CID 2805242
N-(4-azidobutyl)adamantane-1-carboxamide
CID 106386481
4-[2-[5-(adamantane-1-carbonylamino)pentanoylamino]propanoylamino]-5-amino-5-oxopentanoic acid
CID 2755415
phenyl 4-(adamantane-1-carbonylamino)butanoate
CID 18281096
(2S)-4-(adamantane-1-carbonylamino)-2-hydroxybutanoic acid
CID 107833881
3-(adamantane-1-carbonylamino)propyl-dodecyl-dimethylazanium
CID 54370824
molecular hydrogen;8-[[(3R,5R)-1,3,4,5-tetrahydroxycyclohexanecarbonyl]amino]octanoic acid
CID 158746173

Frequently Asked Questions

What is the IUPAC name of 7-(adamantane-1-carbonylamino)heptanoic acid?
The IUPAC name of 7-(adamantane-1-carbonylamino)heptanoic acid (CID 71700197) is 7-(adamantane-1-carbonylamino)heptanoic acid.
What is the SMILES notation for 7-(adamantane-1-carbonylamino)heptanoic acid?
The canonical SMILES for 7-(adamantane-1-carbonylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 7-(adamantane-1-carbonylamino)heptanoic acid?
The InChIKey is WFBDSTDWDROYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c20-16(21)5-3-1-2-4-6-19-17(22)18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2,(H,19,22)(H,20,21).
What are the key properties of 7-(adamantane-1-carbonylamino)heptanoic acid?
7-(adamantane-1-carbonylamino)heptanoic acid has a molecular weight of 307.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(adamantane-1-carbonylamino)heptanoic acid is sourced from PubChem (CID 71700197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).