5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid

C12H24N2O3 — CID 112547757

IUPAC5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid
SMILESCCC(N)(CC)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-12(13,5-2)11(17)14-8-6-7-9(3)10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyMEUIPZMYUNPDPB-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.12
Rot. Bonds8

About 5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid

5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid (PubChem CID 112547757) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid
PubChem CID112547757
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid
SMILESCCC(N)(CC)C(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-12(13,5-2)11(17)14-8-6-7-9(3)10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyMEUIPZMYUNPDPB-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.12
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

4-[(2-amino-2-ethylbutanoyl)amino]-2-hydroxybutanoic acid
CID 107836178
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
2-amino-2-ethyl-N-hexylbutanamide
CID 79810029
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686
5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid
CID 115867248
5-[2-(aminomethyl)butanoylamino]-2-methylpentanoic acid
CID 104685698
2-methyl-5-(pentanoylamino)pentanoic acid
CID 104682493
methyl 4-[(2-amino-2-ethylbutanoyl)amino]butanoate
CID 79815089
2-amino-2-ethyl-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 79814605
5-(butoxycarbonylamino)-2-methylpentanoic acid
CID 87521921
2-methyl-5-(propan-2-ylcarbamoylamino)pentanoic acid
CID 104682853
2-methyl-5-(methylamino)pentanoic acid
CID 59942755

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid (CID 112547757) is 5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid is CCC(N)(CC)C(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid?
The InChIKey is MEUIPZMYUNPDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-12(13,5-2)11(17)14-8-6-7-9(3)10(15)16/h9H,4-8,13H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid?
5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-ethylbutanoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 112547757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).