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

C16H29N3O2 — CID 42618127

IUPAC(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-2-10-18-15(20)13-9-6-11-19(13)16(21)14(17)12-7-4-3-5-8-12/h12-14H,2-11,17H2,1H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyZZHAPIQWGMQPAK-UONOGXRCSA-N
MW295.43 g/mol
LogP1.41
Rot. Bonds5

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

(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide (PubChem CID 42618127) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide
PubChem CID42618127
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1
InChIInChI=1S/C16H29N3O2/c1-2-10-18-15(20)13-9-6-11-19(13)16(21)14(17)12-7-4-3-5-8-12/h12-14H,2-11,17H2,1H3,(H,18,20)/t13-,14+/m0/s1
InChIKeyZZHAPIQWGMQPAK-UONOGXRCSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide (CID 42618127) is (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide is CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide?
The InChIKey is ZZHAPIQWGMQPAK-UONOGXRCSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-2-10-18-15(20)13-9-6-11-19(13)16(21)14(17)12-7-4-3-5-8-12/h12-14H,2-11,17H2,1H3,(H,18,20)/t13-,14+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]-N-propylpyrrolidine-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.41, 5 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-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 42618127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).