(3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol

About (3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol

(3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol (PubChem CID 143362378) has the molecular formula C20H36N4O5 and a molecular weight of 412.53 g/mol. Its IUPAC name is (3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol.

Molecular Properties

Compound Name	(3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol
PubChem CID	143362378
Molecular Formula	C20H36N4O5
Molecular Weight	412.53 g/mol
Exact Mass	412.27
IUPAC Name	(3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol
SMILES	CCC[C@H]1CCN(C(=O)[C@H](C)N)C1C(=O)NC(CC1CCC1)C(=O)C(N)=O.CO
InChI	InChI=1S/C19H32N4O4.CH4O/c1-3-5-13-8-9-23(19(27)11(2)20)15(13)18(26)22-14(16(24)17(21)25)10-12-6-4-7-12;1-2/h11-15H,3-10,20H2,1-2H3,(H2,21,25)(H,22,26);2H,1H3/t11-,13-,14?,15?;/m0./s1
InChIKey	RHKHSNXDTFWXSP-YNFAVJLPSA-N
XLogP	-0.31
TPSA	155.82 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.53
LogP ≤ 5	-0.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol?

The IUPAC name of (3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol (CID 143362378) is (3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol.

What is the SMILES notation for (3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol?

The canonical SMILES for (3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol is CCC[C@H]1CCN(C(=O)[C@H](C)N)C1C(=O)NC(CC1CCC1)C(=O)C(N)=O.CO.

What is the InChIKey of (3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol?

The InChIKey is RHKHSNXDTFWXSP-YNFAVJLPSA-N. The full InChI is InChI=1S/C19H32N4O4.CH4O/c1-3-5-13-8-9-23(19(27)11(2)20)15(13)18(26)22-14(16(24)17(21)25)10-12-6-4-7-12;1-2/h11-15H,3-10,20H2,1-2H3,(H2,21,25)(H,22,26);2H,1H3/t11-,13-,14?,15?;/m0./s1.

What are the key properties of (3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol?

(3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol has a molecular weight of 412.53 g/mol, XLogP of -0.31, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-1-[(2S)-2-aminopropanoyl]-3-propylpyrrolidine-2-carboxamide;methanol is sourced from PubChem (CID 143362378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).