6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid

C15H28N2O3 — CID 65285792

IUPAC6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)CNC1CCCC1)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-15(2,8-7-14(19)20)9-10-16-13(18)11-17-12-5-3-4-6-12/h12,17H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyAPJMXXJUGUHJFZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.92
Rot. Bonds9

About 6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid

6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65285792) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65285792
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)CNC1CCCC1)CCC(=O)O
InChIInChI=1S/C15H28N2O3/c1-15(2,8-7-14(19)20)9-10-16-13(18)11-17-12-5-3-4-6-12/h12,17H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyAPJMXXJUGUHJFZ-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 79257053
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
4,4-dimethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]hexanoic acid
CID 65285697
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
CID 65290131
5-[[2-(cyclopentylamino)acetyl]amino]-4-methylpentanoic acid
CID 82689279
4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914105
4,4-dimethyl-6-(3-piperidin-3-ylpropanoylamino)hexanoic acid
CID 65286080
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788
N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 61248306
2-(cyclopentylamino)-N-(2,2,3-trimethylbutyl)acetamide
CID 114100118
6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
CID 83147001

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid (CID 65285792) is 6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)CNC1CCCC1)CCC(=O)O.
What is the InChIKey of 6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is APJMXXJUGUHJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,8-7-14(19)20)9-10-16-13(18)11-17-12-5-3-4-6-12/h12,17H,3-11H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid?
6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.92, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopentylamino)acetyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65285792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).