(2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide

C15H27N3O2 — CID 100843979

IUPAC(2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide
SMILESCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](CC)C(N)=O
InChIInChI=1S/C15H27N3O2/c1-3-11(15(16)20)17-9-5-7-12(17)13-8-6-10-18(13)14(19)4-2/h11-13H,3-10H2,1-2H3,(H2,16,20)/t11-,12+,13+/m0/s1
InChIKeyMPZQBWVCEQDELF-YNEHKIRRSA-N
MW281.40 g/mol
LogP1.12
Rot. Bonds5

About (2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide

(2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide (PubChem CID 100843979) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide
PubChem CID100843979
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide
SMILESCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](CC)C(N)=O
InChIInChI=1S/C15H27N3O2/c1-3-11(15(16)20)17-9-5-7-12(17)13-8-6-10-18(13)14(19)4-2/h11-13H,3-10H2,1-2H3,(H2,16,20)/t11-,12+,13+/m0/s1
InChIKeyMPZQBWVCEQDELF-YNEHKIRRSA-N
XLogP1.12
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide
CID 66272161
(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
CID 154632136
2-[(2R)-2-[(2S)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide
CID 95305600
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide
CID 62900474
2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
CID 62900440
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
2-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]butanamide
CID 111490203
3-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]propanoic acid
CID 62901019
2-(2-benzhydrylpiperidin-1-yl)butanamide
CID 3030424
ethyl 2-(2-cyclopentylpyrrolidin-1-yl)butanoate
CID 64662882

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide?
The IUPAC name of (2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide (CID 100843979) is (2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide.
What is the SMILES notation for (2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide?
The canonical SMILES for (2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide is CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](CC)C(N)=O.
What is the InChIKey of (2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide?
The InChIKey is MPZQBWVCEQDELF-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-11(15(16)20)17-9-5-7-12(17)13-8-6-10-18(13)14(19)4-2/h11-13H,3-10H2,1-2H3,(H2,16,20)/t11-,12+,13+/m0/s1.
What are the key properties of (2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide?
(2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide has a molecular weight of 281.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-[(2R)-1-propanoylpyrrolidin-2-yl]pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 100843979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).