1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid

C14H25N3O3 — CID 83999596

IUPAC1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
SMILESNC(=O)CN1CC(NC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c15-13(18)9-17-7-10(14(19)20)6-12(8-17)16-11-4-2-1-3-5-11/h10-12,16H,1-9H2,(H2,15,18)(H,19,20)
InChIKeyMDYYHCKKSFXZPL-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.17
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid

1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid (PubChem CID 83999596) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
PubChem CID83999596
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
SMILESNC(=O)CN1CC(NC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C14H25N3O3/c15-13(18)9-17-7-10(14(19)20)6-12(8-17)16-11-4-2-1-3-5-11/h10-12,16H,1-9H2,(H2,15,18)(H,19,20)
InChIKeyMDYYHCKKSFXZPL-UHFFFAOYSA-N
XLogP0.17
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 83999077
2-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]acetamide
CID 83999592
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
CID 83999600
1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999658
5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 83991941
3-(cyclopentylamino)cyclobutane-1-carboxylic acid
CID 117027696
5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid
CID 83999424
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991990
2-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]acetamide
CID 83991982
3-(cyclopentylamino)cyclopentane-1-carboxylic acid
CID 82933431
2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetamide
CID 130961650
1-(2-amino-2-oxoethyl)-N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 131939963

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid (CID 83999596) is 1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid is NC(=O)CN1CC(NC2CCCCC2)CC(C(=O)O)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid?
The InChIKey is MDYYHCKKSFXZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c15-13(18)9-17-7-10(14(19)20)6-12(8-17)16-11-4-2-1-3-5-11/h10-12,16H,1-9H2,(H2,15,18)(H,19,20).
What are the key properties of 1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid?
1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83999596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).