3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide

C10H19N3O3 — CID 59036552

IUPAC3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide
SMILESCC(=O)C(CC(N)=O)NC(=O)C(N)C(C)C
InChIInChI=1S/C10H19N3O3/c1-5(2)9(12)10(16)13-7(6(3)14)4-8(11)15/h5,7,9H,4,12H2,1-3H3,(H2,11,15)(H,13,16)
InChIKeyCCMZKUVYSGOVNE-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.08
Rot. Bonds6

About 3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide

3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide (PubChem CID 59036552) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide.

Molecular Properties

Compound Name3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide
PubChem CID59036552
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide
SMILESCC(=O)C(CC(N)=O)NC(=O)C(N)C(C)C
InChIInChI=1S/C10H19N3O3/c1-5(2)9(12)10(16)13-7(6(3)14)4-8(11)15/h5,7,9H,4,12H2,1-3H3,(H2,11,15)(H,13,16)
InChIKeyCCMZKUVYSGOVNE-UHFFFAOYSA-N
XLogP-1.08
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide?
The IUPAC name of 3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide (CID 59036552) is 3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide.
What is the SMILES notation for 3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide?
The canonical SMILES for 3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide is CC(=O)C(CC(N)=O)NC(=O)C(N)C(C)C.
What is the InChIKey of 3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide?
The InChIKey is CCMZKUVYSGOVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-5(2)9(12)10(16)13-7(6(3)14)4-8(11)15/h5,7,9H,4,12H2,1-3H3,(H2,11,15)(H,13,16).
What are the key properties of 3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide?
3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide has a molecular weight of 229.28 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-methylbutanoyl)amino]-4-oxopentanamide is sourced from PubChem (CID 59036552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).