(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide

C14H25N3O2 — CID 42618126

IUPAC(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1
InChIInChI=1S/C14H25N3O2/c1-16-13(18)11-8-5-9-17(11)14(19)12(15)10-6-3-2-4-7-10/h10-12H,2-9,15H2,1H3,(H,16,18)/t11-,12+/m0/s1
InChIKeyYQRWICYMWZOBGJ-NWDGAFQWSA-N
MW267.37 g/mol
LogP0.63
Rot. Bonds3

About (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 42618126) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID42618126
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1
InChIInChI=1S/C14H25N3O2/c1-16-13(18)11-8-5-9-17(11)14(19)12(15)10-6-3-2-4-7-10/h10-12H,2-9,15H2,1H3,(H,16,18)/t11-,12+/m0/s1
InChIKeyYQRWICYMWZOBGJ-NWDGAFQWSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Brivaracetam
CID 9837243
(2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 23646031
Chg-Pro-CN
CID 11075394
L-valyl-L-proline hexylamide
CID 11623539
N-(Trans-4-{(1s,2s)-2-Amino-3-[(3s)-3-Fluoropyrrolidin-1-Yl]-1-Methyl-3-Oxopropyl}cyclohexyl)-N-Methylacetamide
CID 16122596
1-(2-Amino-2-cyclohexylacetyl)pyrrolidine-2-carbonitrile
CID 22387295
1-(2-Amino-3,3-dicyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide
CID 10367012
Cyclohexanecarboxamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-
CID 11543222
Chg-boroPro
CID 57689732
(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
CID 11623159
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
L-leucyl-L-prolinamide
CID 11557656

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide (CID 42618126) is (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is YQRWICYMWZOBGJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-16-13(18)11-8-5-9-17(11)14(19)12(15)10-6-3-2-4-7-10/h10-12H,2-9,15H2,1H3,(H,16,18)/t11-,12+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42618126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).