1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C13H23N3O3 — CID 55121397

IUPAC1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CN1CCCNCC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23N3O3/c17-11(10-16-8-3-6-14-7-9-16)15-13(12(18)19)4-1-2-5-13/h14H,1-10H2,(H,15,17)(H,18,19)
InChIKeyMXFNQEJFYAQJPB-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.20
Rot. Bonds4

About 1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 55121397) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID55121397
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CN1CCCNCC1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23N3O3/c17-11(10-16-8-3-6-14-7-9-16)15-13(12(18)19)4-1-2-5-13/h14H,1-10H2,(H,15,17)(H,18,19)
InChIKeyMXFNQEJFYAQJPB-UHFFFAOYSA-N
XLogP-0.20
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexyl]acetic acid
CID 64683313
N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43340980
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433571
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
1-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 61405040
N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878300
2-(1,5-diazocan-1-yl)acetic acid
CID 20839708
1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64609550

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 55121397) is 1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CN1CCCNCC1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MXFNQEJFYAQJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c17-11(10-16-8-3-6-14-7-9-16)15-13(12(18)19)4-1-2-5-13/h14H,1-10H2,(H,15,17)(H,18,19).
What are the key properties of 1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55121397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).