2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide

C11H23N3O2 — CID 106235612

IUPAC2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCCCCC(N)=O
InChIInChI=1S/C11H23N3O2/c1-8(2)7-9(12)11(16)14-6-4-3-5-10(13)15/h8-9H,3-7,12H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyBGSYMRQVSJQRAD-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.13
Rot. Bonds8

About 2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide

2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide (PubChem CID 106235612) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
PubChem CID106235612
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NCCCCC(N)=O
InChIInChI=1S/C11H23N3O2/c1-8(2)7-9(12)11(16)14-6-4-3-5-10(13)15/h8-9H,3-7,12H2,1-2H3,(H2,13,15)(H,14,16)
InChIKeyBGSYMRQVSJQRAD-UHFFFAOYSA-N
XLogP0.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
2-amino-N-(5-amino-5-oxopentyl)pent-4-ynamide
CID 106235864
(2S)-2-amino-4-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 61275418
(2R)-2-amino-N-(3-cyclopropylpropyl)-4-methylpentanamide
CID 104904077
(2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide
CID 104902959
(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride
CID 119703887
5-(2-chloropropanoylcarbamoylamino)pentanamide
CID 106239873
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
2-amino-N-(2-cyanoethyl)-4-methylpentanamide
CID 43364126

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide (CID 106235612) is 2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide is CC(C)CC(N)C(=O)NCCCCC(N)=O.
What is the InChIKey of 2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide?
The InChIKey is BGSYMRQVSJQRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(2)7-9(12)11(16)14-6-4-3-5-10(13)15/h8-9H,3-7,12H2,1-2H3,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide?
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide is sourced from PubChem (CID 106235612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).