3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C14H25N3O3 — CID 63043303

IUPAC3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CN1CCCNCC1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c18-13(10-17-7-2-5-15-6-8-17)16-12-4-1-3-11(9-12)14(19)20/h11-12,15H,1-10H2,(H,16,18)(H,19,20)
InChIKeyRPECGASLUHABPG-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.04
Rot. Bonds4

About 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63043303) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63043303
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CN1CCCNCC1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c18-13(10-17-7-2-5-15-6-8-17)16-12-4-1-3-11(9-12)14(19)20/h11-12,15H,1-10H2,(H,16,18)(H,19,20)
InChIKeyRPECGASLUHABPG-UHFFFAOYSA-N
XLogP0.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 79327663
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 106361265
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
CID 62839148
4-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525940
2-(1,4-diazepan-1-yl)-N-(3-ethoxycyclobutyl)acetamide
CID 114119164
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505
2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 62839359
N-(1-methylpiperidin-3-yl)-2-piperazin-1-ylacetamide
CID 61212006
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
CID 79401234

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 63043303) is 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(CN1CCCNCC1)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is RPECGASLUHABPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c18-13(10-17-7-2-5-15-6-8-17)16-12-4-1-3-11(9-12)14(19)20/h11-12,15H,1-10H2,(H,16,18)(H,19,20).
What are the key properties of 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).