1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid

C17H25NO3 — CID 81164145

IUPAC1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1(C(=O)O)CCC1
InChIInChI=1S/C17H25NO3/c19-14(18-17(15(20)21)2-1-3-17)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,1-10H2,(H,18,19)(H,20,21)
InChIKeyKUXSAQKOBRJEOF-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.72
Rot. Bonds4

About 1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 81164145) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID81164145
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1(C(=O)O)CCC1
InChIInChI=1S/C17H25NO3/c19-14(18-17(15(20)21)2-1-3-17)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,1-10H2,(H,18,19)(H,20,21)
InChIKeyKUXSAQKOBRJEOF-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 131919775
N,2-bis(1-adamantyl)acetamide
CID 3906383
2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
N'-[2-(1-adamantyl)acetyl]-2-cyclopentylacetohydrazide
CID 5021273
1-(butanoylamino)cyclobutane-1-carboxylic acid
CID 81158952
2-(1-adamantyl)-N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]acetamide
CID 111539328
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
2-(1-adamantyl)acetic acid;2-(1-adamantyl)acetyl chloride
CID 160909108
1-[2-oxo-2-(sulfinoamino)ethyl]adamantane
CID 123564830
2-(1-adamantyl)-N-cyanoacetamide
CID 79194231

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 81164145) is 1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid is O=C(CC12CC3CC(CC(C3)C1)C2)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is KUXSAQKOBRJEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-14(18-17(15(20)21)2-1-3-17)10-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-13H,1-10H2,(H,18,19)(H,20,21).
What are the key properties of 1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).