2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid

C17H25NO5 — CID 75257795

IUPAC2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C17H25NO5/c19-14(18-13(16(22)23)1-2-15(20)21)9-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-13H,1-9H2,(H,18,19)(H,20,21)(H,22,23)
InChIKeyCTUVATLHXUAZGQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.03
Rot. Bonds7

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

2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid (PubChem CID 75257795) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid
PubChem CID75257795
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C17H25NO5/c19-14(18-13(16(22)23)1-2-15(20)21)9-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-13H,1-9H2,(H,18,19)(H,20,21)(H,22,23)
InChIKeyCTUVATLHXUAZGQ-UHFFFAOYSA-N
XLogP2.03
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid
CID 51885575
(3S)-3-[[2-(1-adamantyl)acetyl]amino]butanoic acid
CID 51885616
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
2-(propanoylamino)pentanedioic acid
CID 10436353
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
2-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]pentanedioic acid
CID 65242121
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928
dioctadecyl (2S)-2-[[2-(1-adamantyl)acetyl]amino]pentanedioate
CID 101013792
(2R)-2-acetamidopentanedioic acid
CID 161394708
(2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid
CID 61160783

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid?
The IUPAC name of 2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid (CID 75257795) is 2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid is O=C(O)CCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O.
What is the InChIKey of 2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid?
The InChIKey is CTUVATLHXUAZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c19-14(18-13(16(22)23)1-2-15(20)21)9-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-13H,1-9H2,(H,18,19)(H,20,21)(H,22,23).
What are the key properties of 2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid?
2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid has a molecular weight of 323.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-adamantyl)acetyl]amino]pentanedioic acid is sourced from PubChem (CID 75257795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).