(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide

C13H25N3O2 — CID 11658913

IUPAC(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)N
InChIInChI=1S/C13H25N3O2/c1-4-5-8-15-11(17)10-7-6-9-16(10)12(18)13(2,3)14/h10H,4-9,14H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyXPMXVLRTYROPLL-JTQLQIEISA-N
MW255.36 g/mol
LogP0.63
Rot. Bonds5

About (2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide

(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide (PubChem CID 11658913) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide
PubChem CID11658913
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)N
InChIInChI=1S/C13H25N3O2/c1-4-5-8-15-11(17)10-7-6-9-16(10)12(18)13(2,3)14/h10H,4-9,14H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyXPMXVLRTYROPLL-JTQLQIEISA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
1-(2-aminobutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 22451228
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
2-[2-(dodecylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67813627
N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
CID 142213067
(2S)-N-butyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 92729966
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
tert-butyl 2-(octylcarbamoyl)azepane-1-carboxylate
CID 21019257
CID 59765360
CID 59765360
1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 79805766
(2S)-N-butyl-2-[(butylcarbamoylamino)carbamoyl]pyrrolidine-1-carboxamide
CID 102288656

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide (CID 11658913) is (2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide is CCCCNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)N.
What is the InChIKey of (2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide?
The InChIKey is XPMXVLRTYROPLL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-5-8-15-11(17)10-7-6-9-16(10)12(18)13(2,3)14/h10H,4-9,14H2,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide?
(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide is sourced from PubChem (CID 11658913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).