2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid

C15H27N3O3 — CID 64683313

IUPAC2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CN2CCCNCC2)CCCCC1
InChIInChI=1S/C15H27N3O3/c19-13(12-18-9-4-7-16-8-10-18)17-15(11-14(20)21)5-2-1-3-6-15/h16H,1-12H2,(H,17,19)(H,20,21)
InChIKeyINMWFOCKTKYOGX-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.58
Rot. Bonds5

About 2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid

2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid (PubChem CID 64683313) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid
PubChem CID64683313
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CN2CCCNCC2)CCCCC1
InChIInChI=1S/C15H27N3O3/c19-13(12-18-9-4-7-16-8-10-18)17-15(11-14(20)21)5-2-1-3-6-15/h16H,1-12H2,(H,17,19)(H,20,21)
InChIKeyINMWFOCKTKYOGX-UHFFFAOYSA-N
XLogP0.58
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid with MolForge

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Related Compounds

1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 55121397
N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43340980
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468
2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid
CID 79846171
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
2-(1,5-diazocan-1-yl)acetic acid
CID 20839708
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
CID 79845652

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid (CID 64683313) is 2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)CN2CCCNCC2)CCCCC1.
What is the InChIKey of 2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid?
The InChIKey is INMWFOCKTKYOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c19-13(12-18-9-4-7-16-8-10-18)17-15(11-14(20)21)5-2-1-3-6-15/h16H,1-12H2,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid?
2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64683313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).