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

C18H27NO3 — CID 131919775

IUPAC1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1(C(=O)O)CCCC1
InChIInChI=1S/C18H27NO3/c20-15(19-18(16(21)22)3-1-2-4-18)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,1-11H2,(H,19,20)(H,21,22)
InChIKeyIQYYFGLSBOZRIP-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.11
Rot. Bonds4

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

1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 131919775) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID131919775
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1(C(=O)O)CCCC1
InChIInChI=1S/C18H27NO3/c20-15(19-18(16(21)22)3-1-2-4-18)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,1-11H2,(H,19,20)(H,21,22)
InChIKeyIQYYFGLSBOZRIP-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(1-adamantyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81164145
N,2-bis(1-adamantyl)acetamide
CID 3906383
1-(3-carboxypropanoylamino)cyclopentane-1-carboxylic acid
CID 13376659
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
2-(1-adamantyl)acetic acid;2-(1-adamantyl)acetyl chloride
CID 160909108
2-(1-adamantyl)-N-cyanoacetamide
CID 79194231
2-(1-adamantyl)-N-[[1-(2-chloroethyl)cyclopropyl]methyl]acetamide
CID 114758033
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64609550
1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 64676761
N'-[2-(1-adamantyl)acetyl]-2-cyclopentylacetohydrazide
CID 5021273

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 131919775) is 1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CC12CC3CC(CC(C3)C1)C2)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is IQYYFGLSBOZRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c20-15(19-18(16(21)22)3-1-2-4-18)11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,1-11H2,(H,19,20)(H,21,22).
What are the key properties of 1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(1-adamantyl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 305.42 g/mol, XLogP of 3.11, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 131919775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).