1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid

C14H25N3O3 — CID 107071406

IUPAC1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)NC2CCCCC2N)C1C(=O)O
InChIInChI=1S/C14H25N3O3/c1-9-5-4-8-17(12(9)13(18)19)14(20)16-11-7-3-2-6-10(11)15/h9-12H,2-8,15H2,1H3,(H,16,20)(H,18,19)
InChIKeyVRABWIUMAQCHNJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.15
Rot. Bonds2

About 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid

1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071406) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107071406
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)NC2CCCCC2N)C1C(=O)O
InChIInChI=1S/C14H25N3O3/c1-9-5-4-8-17(12(9)13(18)19)14(20)16-11-7-3-2-6-10(11)15/h9-12H,2-8,15H2,1H3,(H,16,20)(H,18,19)
InChIKeyVRABWIUMAQCHNJ-UHFFFAOYSA-N
XLogP1.15
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599
3-methyl-1-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 106257801
1-[(2,3-dimethylcyclopentyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782804
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071939
1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071548
3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782299
1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071445
1-[(2-aminocyclohexyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430249
1-[(2,2-dimethylcyclopropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782384
3-[(2-aminocyclohexyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 55237660
3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid
CID 107071850

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid (CID 107071406) is 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)NC2CCCCC2N)C1C(=O)O.
What is the InChIKey of 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is VRABWIUMAQCHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-9-5-4-8-17(12(9)13(18)19)14(20)16-11-7-3-2-6-10(11)15/h9-12H,2-8,15H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid?
1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminocyclohexyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).