(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid

C15H26N2O3 — CID 103871056

IUPAC(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid
SMILESNCC1(CC(=O)N2CCCC[C@@H]2C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O3/c16-11-15(7-3-1-4-8-15)10-13(18)17-9-5-2-6-12(17)14(19)20/h12H,1-11,16H2,(H,19,20)/t12-/m1/s1
InChIKeyNBXHKFKCTAUANJ-GFCCVEGCSA-N
MW282.38 g/mol
LogP1.75
Rot. Bonds4

About (2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid

(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid (PubChem CID 103871056) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid
PubChem CID103871056
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid
SMILESNCC1(CC(=O)N2CCCC[C@@H]2C(=O)O)CCCCC1
InChIInChI=1S/C15H26N2O3/c16-11-15(7-3-1-4-8-15)10-13(18)17-9-5-2-6-12(17)14(19)20/h12H,1-11,16H2,(H,19,20)/t12-/m1/s1
InChIKeyNBXHKFKCTAUANJ-GFCCVEGCSA-N
XLogP1.75
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid
CID 81169332
1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide
CID 104677512
(2R)-1-[2-(1-aminocyclobutyl)acetyl]piperidine-2-carboxylic acid
CID 79854851
(2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid
CID 64677043
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104678353
(2S)-1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81171783
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81172474
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide
CID 104678604
2-[1-(aminomethyl)cyclohexyl]-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 104678156
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid (CID 103871056) is (2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid is NCC1(CC(=O)N2CCCC[C@@H]2C(=O)O)CCCCC1.
What is the InChIKey of (2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid?
The InChIKey is NBXHKFKCTAUANJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N2O3/c16-11-15(7-3-1-4-8-15)10-13(18)17-9-5-2-6-12(17)14(19)20/h12H,1-11,16H2,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 103871056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).