2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide

C11H20N4O3 — CID 61248901

IUPAC2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C11H20N4O3/c12-8(7-9(13)16)11(18)14-4-3-10(17)15-5-1-2-6-15/h8H,1-7,12H2,(H2,13,16)(H,14,18)
InChIKeyIZJGDOFKSSRQSN-UHFFFAOYSA-N
MW256.31 g/mol
LogP-1.68
Rot. Bonds6

About 2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide

2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide (PubChem CID 61248901) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide
PubChem CID61248901
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C11H20N4O3/c12-8(7-9(13)16)11(18)14-4-3-10(17)15-5-1-2-6-15/h8H,1-7,12H2,(H2,13,16)(H,14,18)
InChIKeyIZJGDOFKSSRQSN-UHFFFAOYSA-N
XLogP-1.68
TPSA118.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 113263956
(2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
CID 107828878
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 115738343
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
4-amino-2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 80543621
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 104685586
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide?
The IUPAC name of 2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide (CID 61248901) is 2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide.
What is the SMILES notation for 2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide?
The canonical SMILES for 2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide is NC(=O)CC(N)C(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide?
The InChIKey is IZJGDOFKSSRQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c12-8(7-9(13)16)11(18)14-4-3-10(17)15-5-1-2-6-15/h8H,1-7,12H2,(H2,13,16)(H,14,18).
What are the key properties of 2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide?
2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide has a molecular weight of 256.31 g/mol, XLogP of -1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide is sourced from PubChem (CID 61248901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).