(2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate

C14H26N2O2 — CID 70180771

IUPAC(2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate
SMILESCC(N)C(OC(=O)C1CCCN1)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-10(15)13(11-6-3-2-4-7-11)18-14(17)12-8-5-9-16-12/h10-13,16H,2-9,15H2,1H3
InChIKeyLHOKEEBWCXCIMY-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.58
Rot. Bonds4

About (2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate

(2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate (PubChem CID 70180771) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate
PubChem CID70180771
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate
SMILESCC(N)C(OC(=O)C1CCCN1)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-10(15)13(11-6-3-2-4-7-11)18-14(17)12-8-5-9-16-12/h10-13,16H,2-9,15H2,1H3
InChIKeyLHOKEEBWCXCIMY-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895
pentan-2-yl azepane-2-carboxylate
CID 102982576
[(2R,3S)-3-amino-4-(2-aminoacetyl)oxy-4-oxobutan-2-yl] (2S)-pyrrolidine-2-carboxylate
CID 122511081
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
(2S)-N-[(1S)-1-cyclopentylethyl]pyrrolidine-2-carboxamide
CID 81388860
pentan-2-yl piperidine-2-carboxylate
CID 102982469
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
N-[(1S)-1-cyclopentylethyl]azepane-2-carboxamide
CID 81390656
1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 103489156
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
CID 67175874
CID 67175874

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate?
The IUPAC name of (2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate (CID 70180771) is (2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate.
What is the SMILES notation for (2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate?
The canonical SMILES for (2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate is CC(N)C(OC(=O)C1CCCN1)C1CCCCC1.
What is the InChIKey of (2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate?
The InChIKey is LHOKEEBWCXCIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(15)13(11-6-3-2-4-7-11)18-14(17)12-8-5-9-16-12/h10-13,16H,2-9,15H2,1H3.
What are the key properties of (2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate?
(2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-cyclohexylpropyl) pyrrolidine-2-carboxylate is sourced from PubChem (CID 70180771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).